SCHEMBL4546572

SCHEMBL4546572

CC(C)n1ccc2cnccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFATC1 O95644 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
CDK2 P24941 2/20 0.41
CDC7 O00311 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC22A12 Q96S37 1/20 0.37
MAPT P10636 2/20 0.37
MKNK2 Q9HBH9 2/20 0.35
KDR P35968 2/20 0.35
FLT1 P17948 1/20 0.35
P2RX7 Q99572 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2230256 0.85 NFATC1 (0.46) NFATC1GSK3BDYRK1ACDK2CDC7
SCHEMBL31751759 0.81 CDC7 (0.41) CDK2CDC7RAPGEF4HTR2AHTR2C
SCHEMBL26707367 0.80 BRD4 (0.45) SLC6A2KDRFLT1P2RX7JAK2
SCHEMBL27637862 0.77 RAPGEF4 (0.37) NFATC1GSK3BDYRK1ACDK2CDC7
SCHEMBL19250470 0.76 JAK2 (0.36) NFATC1GSK3BDYRK1ACDK2KDR
SCHEMBL15341930 0.75 HTR2A (0.44) NFATC1GSK3BDYRK1ACDK2HTR2A
SCHEMBL256341 0.74 MAPT (0.50) NFATC1GSK3BDYRK1ACDK2CDC7
SCHEMBL29497360 0.74 MAPT (0.50) NFATC1GSK3BDYRK1ACDK2CDC7
SCHEMBL24060663 0.73 SLC6A2 (0.43) CDK2CDC7RAPGEF4HTR2AHTR2C
SCHEMBL18926930 0.73 HTR2C (0.49) DYRK1ACDK2CDC7RAPGEF4HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. 2023-08-03 US disclosed
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV INDIANA TRUSTEES (US) 2023-04-20 US disclosed
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same THE TRUSTEES OF INDIANA UNIVERSITY (US) 2023-02-21 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
WO-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-20210070784-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-03-11 US disclosed
WO-2019153007-A2 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME THE BOARO OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-08-08 WO disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE NOVOGEN LIMITED (AU) 2012-07-05 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB NFATC1 461/4885GSK3B 38/4885DYRK1A 1182/4885
US-20210070784-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT NFATC1 1437/4885GSK3B 1359/4885DYRK1A 4786/4885
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 NFATC1 2433/4885GSK3B 518/4885DYRK1A 1313/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 NFATC1 721/4885GSK3B 1229/4885DYRK1A 1144/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD NFATC1 1115/4885GSK3B 172/4885DYRK1A 3089/4885
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR NFATC1 89/4885GSK3B 46/4885DYRK1A 853/4885
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT NFATC1 1437/4885GSK3B 1359/4885DYRK1A 4786/4885
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER PIK3CA, PIK3CD, PIK3CB NFATC1 1129/4885GSK3B 155/4885DYRK1A 1574/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN NFATC1 71/4885GSK3B 1733/4885DYRK1A 4862/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG NFATC1 536/4885GSK3B 48/4885DYRK1A 1630/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD NFATC1 1077/4885GSK3B 168/4885DYRK1A 3072/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB NFATC1 461/4885GSK3B 38/4885DYRK1A 1182/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN NFATC1 71/4885GSK3B 1733/4885DYRK1A 4862/4885
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same NAMPT, NNT, NAPRT NFATC1 1437/4885GSK3B 1359/4885DYRK1A 4786/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.