SCHEMBL15035006

SCHEMBL15035006

CCOc1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2ccsc2-c2ccncc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.41
CDK4 P11802 5/20 0.40
CCND1 P24385 5/20 0.40
FGFR1 P11362 4/20 0.40
FGFR2 P21802 4/20 0.40
FGFR4 P22455 4/20 0.40
FGFR3 P22607 4/20 0.40
CCNA2 P20248 4/20 0.37
CDK2 P24941 4/20 0.37
ROCK1 Q13464 1/20 0.37
BRAF P15056 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
TNK2 Q07912 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
SCHEMBL15034771 0.92 CHEK1 (0.40) CHEK1CDK4CCND1FGFR1FGFR2
SCHEMBL15035858 0.84 CDK4 (0.38) CHEK1CDK4CCND1FGFR1FGFR2
SCHEMBL15034876 0.80 CDK4 (0.43) CHEK1CDK4CCND1FGFR1FGFR2
SCHEMBL15035641 0.80 CDK4 (0.41) CHEK1CDK4CCND1FGFR1FGFR2
SCHEMBL15035779 0.77 RIPK2 (0.44) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15034806 0.77 PRKCZ (0.38) CHEK1CDK4CCND1FGFR1FGFR2
SCHEMBL15036248 0.77 RIPK2 (0.35) CHEK1CDK4CCND1CCNA2CDK2
SCHEMBL15036308 0.76 CHEK1 (0.39) CHEK1CDK4CCND1FGFR1FGFR2
SCHEMBL15036478 0.76 CDK4 (0.37) CHEK1CDK4CCND1FGFR1FGFR2
SCHEMBL15035085 0.76 TNK2 (0.38) CHEK1CDK4CCND1FGFR1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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 (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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 CHEK1 453/4885CDK4 408/4885CCND1 3984/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CHEK1 212/4885CDK4 404/4885CCND1 2153/4885

“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.