SCHEMBL77893

SCHEMBL77893

COc1cc(N)ccc1N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NR4A1 P22736 1/20 0.53
PRKDC P78527 1/20 0.46
AKR1C3 P42330 1/20 0.46
PIK3CA P42336 3/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
MTOR P42345 2/20 0.45
PIK3R1 P27986 1/20 0.45
LGMN Q99538 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A3 P47895 1/20 0.44
TNIK Q9UKE5 2/20 0.44

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
SCHEMBL20630912 0.98 GAA (0.59) GAAMAPTSMN1; SMN2NR4A1PRKDC
SCHEMBL15358685 0.88 NR4A1 (0.61) GAAMAPTSMN1; SMN2NR4A1HSD17B10
SCHEMBL519902 0.87 MAPT (0.57) GAAMAPTSMN1; SMN2NR4A1PRKDC
SCHEMBL29833266 0.87 MAPT (0.57) GAAMAPTSMN1; SMN2NR4A1PRKDC
SCHEMBL17631428 0.86 GAA (0.47) GAAMAPTSMN1; SMN2NR4A1ALDH1A1
SCHEMBL1930522 0.85 ALDH1A1 (0.59) GAAMAPTSMN1; SMN2NR4A1HSD17B10
SCHEMBL13723923 0.84 SMN1; SMN2 (0.58) GAAMAPTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL13723948 0.84 GAA (0.54) GAAMAPTSMN1; SMN2PIK3CAMTOR
SCHEMBL3166854 0.83 ALDH1A1 (0.59) GAAMAPTSMN1; SMN2NR4A1HSD17B10
SCHEMBL15652237 0.83 MAPT (0.56) GAAMAPTSMN1; SMN2NR4A1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US claimed
EP-3941459-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2026-05-06 EP disclosed
CN-113924092-B Quinoline and quinazoline compounds and methods of use thereof 斯汀格瑞治疗股份有限公司 2025-03-18 CN disclosed
US-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS NANJING RUIJIE PHARMA CO., LTD. (CN) 2023-06-29 US disclosed
US-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS NANJING RUIJIE PHARMA CO., LTD. (CN) 2023-06-29 US disclosed
EP-3553064-B1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP HANGZHOU INNOGATE PHARMA CO LTD (CN) 2023-06-07 EP disclosed
WO-2022199589-A1 PYRIMIDINE DERIVATIVES 南京明德新药研发有限公司 2022-09-29 WO disclosed
CN-111217816-B FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-08-16 CN disclosed
US-11407729-B2 Quinoline and quinazoline compounds and methods of use thereof Stingray Therapeutics, Inc. (US) 2022-08-09 US disclosed
US-11407729-B2 Quinoline and quinazoline compounds and methods of use thereof Stingray Therapeutics, Inc. (US) 2022-08-09 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
EP-1418916-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Amgen Inc. (US) 2004-05-19 EP disclosed
EP-1411932-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-08-14 US disclosed
US-20030125346-A1 Amino-substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 WO disclosed
WO-2003000256-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER HEALTHCARE AG (DE) 2003-01-03 WO disclosed
WO-2001047919-A9 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER AG (DE) 2002-12-19 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 GAA 1172/4885MAPT 2054/4885SMN1; SMN2 2335/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT GAA 1184/4885MAPT 4491/4885SMN1; SMN2 1697/4885
US-20030125346-A1 Amino-substituted pyrimidinyl derivatives and methods of use TYMP, DPYD, TPMT GAA 1823/4885MAPT 4505/4885SMN1; SMN2 2334/4885
US-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, LCK GAA 850/4885MAPT 4522/4885SMN1; SMN2 4680/4885
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation F2, F11, SERPINC1 GAA 1134/4885MAPT 4763/4885SMN1; SMN2 2042/4885
US-11407729-B2 Quinoline and quinazoline compounds and methods of use thereof ENPP1, ENPP3, PDE7A GAA 267/4885MAPT 4582/4885SMN1; SMN2 2606/4885

“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.