SCHEMBL25003605

SCHEMBL25003605

CCOC(=O)/C=C/c1cnc(SC)nc1NC1CC2CCC1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SYK P43405 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ GABBR2 O75899 2/20 0.36
▸ GABBR1 Q9UBS5 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ FOS P01100 1/20 0.35
▸ JUN P05412 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ PDGFRB P09619 3/20 0.35
▸ PDGFRA P16234 3/20 0.35
▸ HPGD P15428 2/20 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
SCHEMBL4711389 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASYKMAPT
SCHEMBL4715139 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASYKMAPT
SCHEMBL29508799 0.82 ALDH1A1 (0.54) RAB9AALDH1A1MEN1KMT2ASYK
SCHEMBL25003607 0.82 ALDH1A1 (0.54) RAB9AALDH1A1MEN1KMT2ASYK
SCHEMBL22860433 0.82 ALDH1A1 (0.54) RAB9AALDH1A1MEN1KMT2ASYK
SCHEMBL16094578 0.82 ALDH1A1 (0.41) RAB9AALDH1A1MEN1KMT2ASYK
SCHEMBL30560100 0.82 ALDH1A1 (0.41) RAB9AALDH1A1MEN1KMT2ASYK
SCHEMBL4715488 0.82 ALDH1A1 (0.41) RAB9AALDH1A1MEN1KMT2ASYK
SCHEMBL30498445 0.82 ALDH1A1 (0.41) RAB9AALDH1A1MEN1KMT2ASYK
SCHEMBL4760645 0.81 MEN1 (0.41) RAB9AALDH1A1MEN1KMT2ASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RAB9A 1872/4885ALDH1A1 967/4885EPHX2 1659/4885

“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.

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