SCHEMBL3440728

SCHEMBL3440728

CN1CCc2ncc(N)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 1/20 0.42
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
SLC6A4 P31645 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PTK2B Q14289 1/20 0.36
SHMT2 P34897 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL29520297 1.00 CYP2C19 (0.44) CYP2C19CYP2C9MAOAMAOBSLC6A4
SCHEMBL3440773 0.86 MAOA (0.40) CYP2C19MAOAMAOBSLC6A4GRIN2D
SCHEMBL14853093 0.81 CYP2C19 (0.45) CYP2C19CYP2C9MAOAMAOBSLC6A4
SCHEMBL7998560 0.80 RAD52 (0.45) MAPTKMT2ALMNA
SCHEMBL12887791 0.79 CYP2C19 (0.44) CYP2C19CYP2C9MAOAMAOBSLC6A4
SCHEMBL13650387 0.79 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8022098 0.79 CYP2C19 (0.44) CYP2C19CYP2C9MAOAMAOBSLC6A4
SCHEMBL30033295 0.79 CYP2C19 (0.44) CYP2C19CYP2C9MAOAMAOBSLC6A4
SCHEMBL25148184 0.79 CYP2C19 (0.41) CYP2C19CYP2C9MAOAMAOBSLC6A4
SCHEMBL31553950 0.79 MAPT (0.37) ALDH1A1MEN1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors GLENMARK SPECIALITY S.A. (CH) 2026-03-17 US disclosed
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
EP-4367123-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS Glenmark Specialty S.A. (CH) 2024-05-15 EP disclosed
EP-3661918-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS LLC (US) 2024-05-08 EP disclosed
CN-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 CN disclosed
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2007131982-A2 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 WO disclosed
US-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2007-09-27 US disclosed
EP-1794145-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-06-13 EP disclosed
WO-2006032851-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-03-30 WO disclosed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed
EP-1017694-A2 N-5,6,7,8-TETRAHYDRO(1,6)NAPHTHYRIDINE-N'-PHENYLUREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-07-12 EP disclosed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP disclosed
WO-2000007993-A1 SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 2000-02-17 WO disclosed
WO-1999015526-A2 N-5,6,7,8-TETRAHYDRO(1,6)NAPHTHYRIDINE-N'-PHENYLUREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-04-01 WO disclosed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 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 (5 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-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 CYP2C19 83/4885CYP2C9 232/4885MAOA 1020/4885
US-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 CYP2C19 4271/4885CYP2C9 3875/4885MAOA 1599/4885
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK CYP2C19 3798/4885CYP2C9 4057/4885MAOA 4518/4885
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors PTK2B, MAP3K10, MAP3K20 CYP2C19 3904/4885CYP2C9 3924/4885MAOA 4020/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 CYP2C19 2625/4885CYP2C9 2669/4885MAOA 4268/4885

“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.