SCHEMBL4546563

SCHEMBL4546563

CC(C)c1cccn2cncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.46
QPCTL Q9NXS2 1/20 0.46
IDO1 P14902 3/20 0.43
TDO2 P48775 1/20 0.41
TBXAS1 P24557 1/20 0.40
SRC P12931 1/20 0.38
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
HSP90AA1 P07900 4/20 0.33
HSP90AB1 P08238 4/20 0.33
GABRA1 P14867 3/20 0.33
GABRB2 P47870 2/20 0.33
GABRA5 P31644 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP17A1 P05093 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL15235849 0.85 QPCT (0.46) QPCTQPCTLIDO1TDO2TBXAS1
SCHEMBL16746115 0.76 IDO1 (0.42) QPCTQPCTLIDO1TDO2TBXAS1
SCHEMBL12873190 0.76 GABRA1 (0.41) TSHRALOX15GABRA1GABRB2GABRA5
SCHEMBL18137659 0.75 IDO1 (0.46) QPCTQPCTLIDO1TDO2TBXAS1
SCHEMBL4550275 0.75 SRC (0.51) QPCTQPCTLIDO1TDO2TBXAS1
SCHEMBL3260682 0.74 TBXAS1 (0.50) QPCTQPCTLIDO1TDO2TBXAS1
SCHEMBL24630997 0.72 ADRB2 (0.49) QPCTQPCTLIDO1TDO2TBXAS1
SCHEMBL19756603 0.72 ALOX15 (0.36) IDO1TSHRALOX15CYP17A1LMNA
SCHEMBL21863357 0.72 DYRK1A (0.33) IDO1TSHRALOX15
SCHEMBL18137703 0.72 IDO1 (0.49) IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20230382891-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF BLACKSMITH MEDICINES, INC. 2023-11-30 US disclosed
US-20230382891-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF BLACKSMITH MEDICINES, INC. 2023-11-30 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
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-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-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 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-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-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
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 (11 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-20230382891-A1 GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE (QPCTL) PROTEIN INHIBITORS AND USES THEREOF QPCT, QPCTL, GLUL QPCT 1/4885QPCTL 2/4885IDO1 2350/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD QPCT 2304/4885QPCTL 4030/4885IDO1 2132/4885
US-20120171199-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MTOR QPCT 1308/4885QPCTL 2699/4885IDO1 1252/4885
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 QPCT 1195/4885QPCTL 3381/4885IDO1 3490/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 QPCT 4545/4885QPCTL 4074/4885IDO1 4155/4885
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors METTL3, DIMT1, TPMT QPCT 756/4885QPCTL 524/4885IDO1 906/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG QPCT 1771/4885QPCTL 2454/4885IDO1 1595/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD QPCT 2307/4885QPCTL 4034/4885IDO1 2028/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB QPCT 1515/4885QPCTL 3645/4885IDO1 825/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP QPCT 1780/4885QPCTL 2218/4885IDO1 1973/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS QPCT 2251/4885QPCTL 3903/4885IDO1 2580/4885

“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.