SCHEMBL3973217

SCHEMBL3973217

CSc1ncc(CN)c(NC2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GABBR2 O75899 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
MERTK Q12866 1/20 0.43
AOC1 P19801 3/20 0.42
AOC3 Q16853 3/20 0.42
ADORA1 P30542 2/20 0.39
HPGDS O60760 2/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
JAK2 O60674 3/20 0.36
JAK3 P52333 2/20 0.36
SYK P43405 1/20 0.35
PPARG P37231 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL29714331 1.00 KMT2A (0.47) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL26090940 0.94 MERTK (0.47) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL22184593 0.87 KMT2A (0.51) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL24496115 0.86 KMT2A (0.47) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL22184570 0.86 KMT2A (0.47) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL29714339 0.86 KMT2A (0.47) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL2622288 0.86 GABBR2 (0.47) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL4711841 0.85 GABBR2 (0.46) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL4713140 0.85 GABBR2 (0.46) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL6944164 0.84 KMT2A (0.48) KMT2AMEN1GABBR2CYP1A2CYP2C9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124464-A1 SUBSTITUTED FUSED BICYCLIC COMPOUND AS KINASE INHIBITOR AND USE THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2024-04-18 US 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
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
US-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US disclosed
EP-1080092-B1 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation DOBRUSIN ELLEN MYRA (US) 2004-03-04 US disclosed
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 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 (2 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-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation CCNI, CCNH, CCNA1 KMT2A 2878/4885MEN1 4287/4885GABBR2 4509/4885
US-20240124464-A1 SUBSTITUTED FUSED BICYCLIC COMPOUND AS KINASE INHIBITOR AND USE THEREOF NUAK1, NUAK2, NEK11 KMT2A 897/4885MEN1 1440/4885GABBR2 4200/4885

“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.