SCHEMBL4473978

SCHEMBL4473978

N#Cc1cnn2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 1.00
SMPD3 Q9NY59 3/20 0.55
AXL P30530 1/20 0.55
KDM4D Q6B0I6 1/20 0.51
PIK3CG P48736 2/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TGFBR1 P36897 3/20 0.45
BMP4 P12644 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
JAK1 P23458 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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 SCHEMBL30375382 0.98 CDK2 (0.96) CDK2SMPD3AXLKDM4DPIK3CG
Trifluoroacetic Acid SCHEMBL30279841 0.85 CDK2 (0.73) CDK2SMPD3AXLKDM4DALDH1A1
SCHEMBL3157134 0.81 CDK2 (0.69) CDK2SMPD3AXLALDH1A1KDM4E
SCHEMBL27040962 0.81 CDK2 (0.69) CDK2SMPD3AXLPIK3CGALDH1A1
SCHEMBL17561652 0.79 CDK2 (0.65) CDK2SMPD3AXLPIK3CGALDH1A1
SCHEMBL30549535 0.76 CDK2 (0.61) CDK2SMPD3AXLKDM4DPIK3CG
SCHEMBL9923287 0.75 CDK2 (0.60) CDK2SMPD3AXLKDM4DALDH1A1
SCHEMBL18343004 0.75 CDK2 (0.60) CDK2SMPD3AXLKDM4DPIK3CG
SCHEMBL9923288 0.75 CDK2 (0.60) CDK2SMPD3AXLKDM4DALDH1A1
SCHEMBL26114815 0.71 CDK2 (0.55) CDK2SMPD3AXLPIK3CGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109562111-B CK2 inhibitors, compositions and methods thereof 北极星药业股份有限公司 2023-04-04 CN claimed
EP-3887371-B1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-02-22 EP claimed
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP claimed
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 EP claimed
CN-122094954-A Tricyclic quinolones and 1, 8-naphthyridin-2-one BCL6 difunctional degrading agents 2026-05-26 CN disclosed
US-12617796-B2 Antagonists of the adenosine A2a receptor JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
US-12378201-B2 Histone demethylase inhibitors for treating cancers BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-08-05 US disclosed
US-20240417388-A1 BENZIMIDAZOLONE DERIVED INHIBITORS OF BCL6 CANCER RESEARCH TECH LTD (GB) 2024-12-19 US disclosed
WO-2024153226-A1 PYRAZOLE-FUSED CYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2024-07-25 WO disclosed
CN-117940427-A Substituted pyrazolo [1,5-a ] pyrimidine-7-amine compounds as CDK inhibitors and therapeutic uses thereof 卡里克治疗有限公司 2024-04-26 CN disclosed
EP-4355426-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-04-24 EP disclosed
WO-2024081789-A2 HISTONE DEMETHYLASE INHIBITORS FOR TREATING CANCERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-04-18 WO disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 US disclosed
US-7135568-B2 For relieving pain; for therapy and prophylaxis of epilepsy, schizophrenia, neurodegenerative conditions, Alzheimer's disease, Huntington's disease and Parkinson's disease, cerebral ischaemias, infarcts, psychoses GRUENENTHAL GMBH (DE) 2006-11-14 US disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
US-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US disclosed
US-5059691-A Anxiolytic agents; hypotensive agents; nervous system disorders; cognition activators AMERICAN CYANAMID COMPANY (US) 1991-10-22 US disclosed
US-5013737-A Hypotensive, anxiolytic, cognitive disorders AMERICAN CYANAMID COMPANY (US) 1991-05-07 US disclosed
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP 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-12378201-B2 Histone demethylase inhibitors for treating cancers KDM4A, KDM1B, KDM4B CDK2 2482/4885SMPD3 482/4885AXL 4259/4885
US-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CDK2 306/4885SMPD3 1633/4885AXL 2658/4885
US-12617796-B2 Antagonists of the adenosine A2a receptor ADORA2A, ADORA2B, ADORA3 CDK2 1647/4885SMPD3 1390/4885AXL 869/4885
US-20240417388-A1 BENZIMIDAZOLONE DERIVED INHIBITORS OF BCL6 BCL6, BCL6B, BCL3 CDK2 105/4885SMPD3 2967/4885AXL 4125/4885

“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.