SCHEMBL6944883

SCHEMBL6944883

CSc1ncc(C(C)O)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 0.46
ADORA1 P30542 2/20 0.39
JAK2 O60674 3/20 0.36
JAK3 P52333 2/20 0.36
CDK2 P24941 2/20 0.35
CDK1 P06493 1/20 0.35
CCNA2 P20248 1/20 0.35
SYK P43405 2/20 0.35
PPARG P37231 1/20 0.35
AXL P30530 1/20 0.35
HPGDS O60760 2/20 0.35
SRC P12931 1/20 0.34

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
SCHEMBL29507774 0.85 KMT2A (0.44) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL6940786 0.85 KMT2A (0.44) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL13812977 0.80 GABBR2 (0.51) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL13812973 0.78 KMT2A (0.50) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL29991645 0.78 KMT2A (0.50) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL4065318 0.78 KMT2A (0.50) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL2622288 0.78 GABBR2 (0.47) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL22184570 0.78 KMT2A (0.47) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL4687405 0.77 LMNA (0.39) KMT2AMEN1MERTKSYK
SCHEMBL27225170 0.77 KMT2A (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116390921-A Heterocyclic compound with cyclin-dependent kinase inhibition activity, preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-07-04 CN disclosed
US-20230042936-A1 PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES AS CDK INHIBITORS FUNDACION DEL SECTOR PUBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (F.S.P. CNIO) (ES) 2023-02-09 US disclosed
WO-2021183994-A1 PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AS CDK INHIBITORS PROSENESTAR LLC (US) 2021-09-16 WO disclosed
EP-1268476-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-01-02 EP disclosed
WO-2001070741-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-27 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 (1 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-20230042936-A1 PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES AS CDK INHIBITORS CDK7, CDK8, CDK9 KMT2A 397/4885MEN1 2207/4885GABBR2 3848/4885

“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.