SCHEMBL4715488

SCHEMBL4715488

CCOC(=O)C=Cc1cnc(SC)nc1NC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
NR2F2 P24468 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
GABBR2 O75899 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
LMNA P02545 3/20 0.40
SYK P43405 2/20 0.40
NPC1 O15118 1/20 0.40
S1PR2 O95136 1/20 0.40
XBP1 P17861 1/20 0.40
RAB9A P51151 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
SCHEMBL30498445 1.00 ALDH1A1 (0.41) ALDH1A1MAPTNR2F2NPSR1MAPK1
SCHEMBL30560100 1.00 ALDH1A1 (0.41) ALDH1A1MAPTNR2F2NPSR1MAPK1
SCHEMBL16094578 1.00 ALDH1A1 (0.41) ALDH1A1MAPTNR2F2NPSR1MAPK1
SCHEMBL4716299 0.99 MEN1 (0.41) ALDH1A1MAPTNR2F2NPSR1MAPK1
SCHEMBL4760645 0.99 MEN1 (0.41) ALDH1A1MAPTNR2F2NPSR1MAPK1
SCHEMBL4711389 0.96 ALDH1A1 (0.43) ALDH1A1MAPTNR2F2NPSR1MAPK1
SCHEMBL4715139 0.96 ALDH1A1 (0.43) ALDH1A1MAPTNR2F2NPSR1MAPK1
SCHEMBL14914394 0.89 KMT2A (0.43) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL30872620 0.89 KMT2A (0.43) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL14914395 0.89 KMT2A (0.43) ALDH1A1KDM4EMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964864-B1 PYRIDO 2,3-D PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-04-09 EP claimed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 US claimed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP claimed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 WO claimed
US-20240124464-A1 SUBSTITUTED FUSED BICYCLIC COMPOUND AS KINASE INHIBITOR AND USE THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2024-04-18 US disclosed
EP-3733184-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 EP disclosed
CN-116529251-A Substituted fused bicyclic compounds as kinase inhibitors and their use 上海瑛派药业有限公司 2023-08-01 CN disclosed
WO-2022116943-A1 SUBSTITUTED FUSED BICYCLIC COMPOUND AS KINASE INHIBITOR AND USE THEREOF 上海瑛派药业有限公司 2022-06-09 WO disclosed
EP-3733184-A1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Icahn School of Medicine at Mount Sinai (US) 2020-11-04 EP disclosed
EP-2968331-B1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-01 EP disclosed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 US disclosed
EP-0964864-B1 PYRIDO 2,3-D PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-04-09 EP disclosed
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 EP disclosed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 US disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 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 (3 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 ALDH1A1 1162/4885MAPT 2259/4885NR2F2 718/4885
US-20240124464-A1 SUBSTITUTED FUSED BICYCLIC COMPOUND AS KINASE INHIBITOR AND USE THEREOF NUAK1, NUAK2, NEK11 ALDH1A1 3025/4885MAPT 2165/4885NR2F2 1264/4885
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS DCK, TK1, DTYMK ALDH1A1 2846/4885MAPT 2299/4885NR2F2 2657/4885

“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.