SCHEMBL113044

SCHEMBL113044

CCOc1ccc(N)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 7/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.46
KEAP1 Q14145 1/20 0.46
BRCA1 P38398 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PIK3CA P42336 2/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
PI4KA P42356 1/20 0.45
PIK3CG P48736 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
GAA P10253 1/20 0.40

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
Hydrochloric Acid SCHEMBL8330069 0.98 MAPT (0.50) MAPTTSHRTDP1KDM4ERAB9A
SCHEMBL20334306 0.84 TSHR (0.44) MAPTTSHRTDP1KDM4ERAB9A
SCHEMBL16322624 0.83 KDM4E (0.50) MAPTTSHRTDP1KDM4ERAB9A
SCHEMBL31237102 0.83 KDM4E (0.50) MAPTTSHRTDP1KDM4ERAB9A
SCHEMBL4898543 0.83 NCF1 (0.44) MAPTTSHRTDP1KDM4ERAB9A
SCHEMBL23634035 0.82 KDM4E (0.50) MAPTKDM4ERAB9APOLBMEN1
SCHEMBL29837272 0.82 KDM4E (0.50) MAPTKDM4ERAB9APOLBMEN1
SCHEMBL3334395 0.82 KDM4E (0.53) MAPTTSHRTDP1KDM4ERAB9A
SCHEMBL12173131 0.81 NCF1 (0.43) MAPTTSHRTDP1KDM4ERAB9A
SCHEMBL29837257 0.80 KDM4E (0.48) MAPTKDM4ERAB9APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
EP-4045506-B1 DERIVATIVES OF 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-N-(PYRIDIN-3-YL) PYRIMIDIN-2- AMINE FOR TREATING PROLIFERATIVE DISEASES AND CONDITIONS AUCENTRA THERAPEUTICS PTY LTD (AU) 2025-07-23 EP disclosed
CN-114502555-B Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridin-3-yl) pyrimidin-2-amine for the treatment of proliferative diseases and disorders 常州千红生化制药股份有限公司 2024-07-16 CN disclosed
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-20 US disclosed
US-20240158391-A1 DERIVATIVES OF 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-N-(PYRIDIN-3-YL) PYRIMIDIN-2- AMINE FOR TREATING PROLIFERATIVE DISEASES AND CONDITIONS AUCENTRA THERAPEUTICS PTY LTD (AU) 2024-05-16 US disclosed
EP-4308554-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA The Board of Trustees of the University of Illinois (US) 2024-01-24 EP disclosed
WO-2022197658-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-09-22 WO disclosed
EP-4045506-A1 DERIVATIVES OF 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-N-(PYRIDIN-3-YL) PYRIMIDIN-2- AMINE FOR TREATING PROLIFERATIVE DISEASES AND CONDITIONS Aucentra Therapeutics Pty Ltd (AU) 2022-08-24 EP disclosed
CN-114901362-A Bivalent LECA inhibitors against pseudomonas aeruginosa biofilm formation 赫姆霍尔兹传染病研究中心有限责任公司 2022-08-12 CN disclosed
WO-1999010347-A1 SUBSTITUTED 4-OXO-NAPTHYRIDINE-3-CARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-03-04 WO disclosed
EP-0705260-B1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1999-03-03 EP disclosed
US-5780482-A TREATING RHEUMATIC DISEASES KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705260-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed
WO-1995000511-A1 CONDENSED 4-AMINOPYRIDINES WITH ANTIRHEUMATIC ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed
US-4341769-A VASODILATOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-07-27 US disclosed
EP-0038161-A1 2,6-Diaminonebularines, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-10-21 EP disclosed
US-4004011-A PROLACTIN SECRETION INHIBITORS SANDOZ LTD. (CH) 1977-01-18 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 (4 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 MAPT 2486/4885TSHR 252/4885TDP1 2846/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 MAPT 2486/4885TSHR 252/4885TDP1 2846/4885
US-20240199572-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA SREBF2, SREBF1, SLC2A2 MAPT 107/4885TSHR 4429/4885TDP1 1670/4885
US-20240158391-A1 DERIVATIVES OF 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL)-N-(PYRIDIN-3-YL) PYRIMIDIN-2- AMINE FOR TREATING PROLIFERATIVE DISEASES AND CONDITIONS CDK9, CDK4, CDK2 MAPT 3759/4885TSHR 1083/4885TDP1 634/4885

“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.