SCHEMBL25003607

SCHEMBL25003607

CCOC(=O)c1cnc(SC)nc1NC1CC2CCC1C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ SYK P43405 2/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPT P10636 6/20 0.50
▸ LMNA P02545 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ FOS P01100 1/20 0.50
▸ JUN P05412 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.42
▸ NR2F2 P24468 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL22860433 1.00 ALDH1A1 (0.54) ALDH1A1SYKMEN1KMT2AMAPT
SCHEMBL29508799 1.00 ALDH1A1 (0.54) ALDH1A1SYKMEN1KMT2AMAPT
SCHEMBL4405587 0.82 ALDH1A1 (0.63) ALDH1A1SYKMEN1KMT2AMAPT
SCHEMBL25003605 0.82 RAB9A (0.39) ALDH1A1SYKMEN1KMT2AMAPT
SCHEMBL22860606 0.82 ALDH1A1 (0.59) ALDH1A1SYKMEN1KMT2AMAPT
SCHEMBL29508808 0.82 ALDH1A1 (0.59) ALDH1A1SYKMEN1KMT2AMAPT
SCHEMBL22860738 0.81 ALDH1A1 (0.56) ALDH1A1SYKMEN1KMT2AMAPT
SCHEMBL13735553 0.81 ALDH1A1 (0.56) ALDH1A1SYKMEN1KMT2AMAPT
SCHEMBL574167 0.81 ALDH1A1 (0.60) ALDH1A1SYKMEN1KMT2AMAPT
SCHEMBL22860692 0.81 ALDH1A1 (0.60) ALDH1A1SYKMEN1KMT2AMAPT

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 ALDH1A1 967/4885SYK 2508/4885MEN1 2207/4885

“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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