SCHEMBL5067152

SCHEMBL5067152

Cn1nc2c(c1N)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
GAA P10253 2/20 0.57
CYP1A2 P05177 2/20 0.57
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACHE P22303 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.40
BPTF Q12830 1/20 0.40
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
NPC1 O15118 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL12335143 0.96 POLB (0.52) POLBGAACYP1A2MAPTTDP1
SCHEMBL13684197 0.76 POLB (0.59) POLBGAACYP1A2MAPTTDP1
SCHEMBL12073002 0.75 POLB (0.40) POLBGAACYP1A2MAPTTDP1
SCHEMBL14737136 0.74 POLB (0.57) POLBGAACYP1A2MAPTTDP1
SCHEMBL3612647 0.74 POLB (0.57) POLBGAACYP1A2MAPTTDP1
SCHEMBL15694019 0.74 POLB (0.57) POLBGAACYP1A2MAPTTDP1
SCHEMBL16920677 0.74 POLB (0.57) POLBGAACYP1A2MAPTTDP1
SCHEMBL13693061 0.74 POLB (0.57) POLBGAACYP1A2MAPTTDP1
SCHEMBL16739580 0.74 POLB (0.62) POLBGAACYP1A2MAPTTDP1
SCHEMBL17045585 0.74 POLB (0.39) POLBGAACYP1A2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898646-B1 3.ALPHA.-HYDROXY-17.BETA.-AMIDE NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS LLC (US) 2026-02-18 EP disclosed
US-20220372067-A1 3.ALPHA.-HYDROXY-17.BETA.-AMIDE NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2022-11-24 US disclosed
CN-113121528-A Multi-target inhibition compound, composition, functional molecule and application thereof 中国科学院上海药物研究所 2021-07-16 CN disclosed
EP-3110818-B1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-23 EP disclosed
EP-3110818-B1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-23 EP disclosed
EP-2585455-B1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS UNIV CALIFORNIA (US) 2019-08-07 EP disclosed
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-09 US disclosed
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-09 US disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 US disclosed
EP-2848615-A1 New pyrazole derivatives as CRAC channel modulators Almirall, S.A. (ES) 2015-03-18 EP disclosed
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-06-27 US disclosed
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-06-27 US disclosed
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-06-27 US disclosed
EP-2585455-A2 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS The Regents of The University of California (US) 2013-05-01 EP disclosed
WO-2011163636-A2 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-29 WO disclosed
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders ARENA PHARMACEUTICALS, INC (US) 2008-12-11 US disclosed
US-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders ARENA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
EP-1735622-A2 MODULATORS OF HUMAN G PROTEIN-COUPLED RECEPTORS FOR THE TREATMENT OF HYPERGLYCEMIA AND RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2006-12-27 EP disclosed
WO-2005116653-A2 MODULATORS OF HUMAN G PROTEIN-COUPLED RECEPTORS FOR THE TREATMENT OF HYPERGLYCEMIA AND RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2005-12-08 WO 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 (6 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-20220372067-A1 3.ALPHA.-HYDROXY-17.BETA.-AMIDE NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF HSD17B7, HSD3B1, HSD17B3 POLB 2839/4885GAA 2893/4885CYP1A2 207/4885
US-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders GPR119, GCGR, GLP1R POLB 4818/4885GAA 2134/4885CYP1A2 3751/4885
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 POLB 325/4885GAA 1909/4885CYP1A2 1598/4885
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders GPR119, GCGR, GLP1R POLB 4818/4885GAA 2134/4885CYP1A2 3751/4885
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS IAPP, APP, BACE1 POLB 4473/4885GAA 379/4885CYP1A2 2783/4885
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD1 POLB 325/4885GAA 1909/4885CYP1A2 1598/4885

“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.