SCHEMBL15041394

SCHEMBL15041394

CN(C)C(=O)c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(Cc2ncoc2C2=CCCC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.40
CCND1 P24385 6/20 0.40
CDK2 P24941 4/20 0.40
FGFR1 P11362 2/20 0.40
CCNA2 P20248 2/20 0.40
FGFR2 P21802 2/20 0.40
FGFR4 P22455 2/20 0.40
FGFR3 P22607 2/20 0.40
CCND3 P30281 13/20 0.37
CDK6 Q00534 2/20 0.36
HDAC1 Q13547 4/20 0.36
CDK9 P50750 2/20 0.36
AURKA O14965 1/20 0.36
CCNT1 O60563 1/20 0.36
NTRK1 P04629 1/20 0.36
FLT4 P35916 1/20 0.36
LIMK1 P53667 1/20 0.36
AURKB Q96GD4 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
INCENP Q9NQS7 1/20 0.36

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
SCHEMBL15034809 0.93 CDK4 (0.38) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041374 0.81 CDK4 (0.41) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041221 0.79 CDK4 (0.39) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041256 0.77 CDK4 (0.37) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041393 0.76 CDK4 (0.38) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041188 0.76 CDK4 (0.39) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041596 0.74 CDK4 (0.40) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041831 0.74 CDK4 (0.40) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15035027 0.74 CDK4 (0.39) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15034851 0.74 CDK4 (0.39) CDK4CCND1CDK2FGFR1CCNA2

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 2 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-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 CDK4 408/4885CCND1 3984/4885CDK2 104/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885CDK2 183/4885

“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.