SCHEMBL110102

SCHEMBL110102

CN1CCN(C(=O)c2ccc(N)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.69
HPGD P15428 4/20 0.65
ALOX15 P16050 1/20 0.65
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
GRM5 P41594 1/20 0.59
TSHR P16473 1/20 0.57
HRH3 Q9Y5N1 2/20 0.56
LMNA P02545 2/20 0.56
EPHX2 P34913 1/20 0.55
NPC1 O15118 1/20 0.55

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
SCHEMBL4037766 0.93 KMT2A (0.72) POLBHPGDALOX15CA12CA1
SCHEMBL10724841 0.90 POLB (0.81) POLBHPGDALOX15KMT2AMEN1
SCHEMBL20261717 0.90 CA12 (0.73) POLBHPGDCA12CA1CA2
SCHEMBL3004567 0.85 POLB (0.69) POLBHPGDALOX15KMT2AMEN1
SCHEMBL4002018 0.85 CASP6 (0.64) POLBHPGDALOX15CA12CA1
SCHEMBL20449050 0.85 POLB (0.86) POLBHPGDALOX15KMT2AMEN1
SCHEMBL13731378 0.85 L3MBTL3 (0.72) KMT2AMEN1ALDH1A1L3MBTL3L3MBTL1
SCHEMBL82433 0.83 ALDH1A1 (0.72) POLBHPGDALOX15KMT2AMEN1
SCHEMBL2473996 0.83 POLB (0.71) POLBHPGDALOX15KMT2AMEN1
SCHEMBL14980308 0.83 POLB (0.72) POLBHPGDALOX15KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
EP-4711369-A1 1H-[1,2,3]TRIAZOLO[4,5-H]QUINAZOLINE COMPOUNDS AS PROTEIN KINASE INHIBITORS Chengdu Cynogen Bio-Pharmaceutical Technology Co., Ltd. (CN) 2026-03-18 EP disclosed
EP-4711366-A1 PYRIMIDO MACROHETEROCYCLIC COMPOUND AS WEE1-YES DUAL-TARGET INHIBITOR AND USE THEREOF Mindrank AI Ltd. (CN) 2026-03-18 EP disclosed
US-12421211-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2025-09-23 US disclosed
WO-2024245406-A1 1H-[1,2,3]TRIAZOLO[4,5-H]QUINAZOLINE COMPOUNDS AS PROTEIN KINASE INHIBITORS 成都赛璟生物医药科技有限公司 2024-12-05 WO disclosed
WO-2024230807-A1 PYRIMIDO MACROHETEROCYCLIC COMPOUND AS WEE1-YES DUAL-TARGET INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2024-11-14 WO disclosed
US-20240368117-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
EP-4310088-A1 HETEROCYCLIC JAK INHIBITOR Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2024-01-24 EP disclosed
EP-1379501-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-01-14 EP disclosed
US-6649600-B1 2,6-Dioxo or dithioxy-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo derivatives; highly potent and selective diuretics BIOGEN, INC. 2003-11-18 US disclosed
US-20030134859-A1 PPAR-gamma modulator SANKYO COMPANY, LIMITED (JP) 2003-07-17 US disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 US disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO disclosed
EP-1277729-A1 PPAR (GAMMA) MODULATORS Sankyo Company, Limited (JP) 2003-01-22 EP disclosed
WO-2002081445-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-17 WO disclosed
US-4025629-A HYPOTENSIVES, ANTIANXIETY THE UPJOHN COMPANY (US) 1977-05-24 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 (7 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-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 POLB 1808/4885HPGD 1513/4885ALOX15 2789/4885
US-12421211-B2 Heterocyclic compounds F12, C1R, MRPL21 POLB 3045/4885HPGD 375/4885ALOX15 3481/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 POLB 453/4885HPGD 1383/4885ALOX15 3901/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 POLB 3173/4885HPGD 635/4885ALOX15 3350/4885
US-20030134859-A1 PPAR-gamma modulator PPARG, PPARA, PPARD POLB 1875/4885HPGD 1033/4885ALOX15 702/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 POLB 3173/4885HPGD 635/4885ALOX15 3350/4885
US-20240368117-A1 HETEROCYCLIC COMPOUNDS F12, C1R, MRPL21 POLB 3045/4885HPGD 375/4885ALOX15 3481/4885

“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.