SCHEMBL15034855

SCHEMBL15034855

C#Cc1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2cncn2C2=CCCC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.37
CDK6 Q00534 3/20 0.37
FGFR1 P11362 8/20 0.33
EGFR P00533 2/20 0.33
RIPK2 O43353 2/20 0.32
ACVR1 Q04771 2/20 0.32
NOD2 Q9HC29 2/20 0.32
CCNA2 P20248 7/20 0.32
CCND1 P24385 7/20 0.32
CDK2 P24941 7/20 0.32
FGFR2 P21802 6/20 0.32
FGFR4 P22455 6/20 0.32
FGFR3 P22607 6/20 0.32
JAK3 P52333 1/20 0.31
WEE1 P30291 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
CCNA1 P78396 1/20 0.31
PAK3 O75914 1/20 0.31
PAK1 Q13153 1/20 0.31

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
SCHEMBL15041752 0.93 CDK4 (0.37) CDK4CDK6FGFR1EGFRRIPK2
SCHEMBL15035723 0.81 CDK4 (0.39) CDK4CDK6FGFR1RIPK2ACVR1
SCHEMBL15035073 0.81 CDK4 (0.39) CDK4CDK6FGFR1EGFRCCNA2
SCHEMBL15041732 0.79 FGFR1 (0.39) CDK4CDK6FGFR1EGFRRIPK2
SCHEMBL15036315 0.78 FGFR1 (0.40) CDK4CDK6FGFR1EGFRRIPK2
SCHEMBL15034962 0.76 CDK4 (0.36) CDK4CDK6FGFR1EGFRRIPK2
SCHEMBL15034813 0.75
SCHEMBL15041387 0.74 CDK4 (0.39) CDK4CDK6FGFR1RIPK2ACVR1
SCHEMBL15041765 0.74 CDK4 (0.39) CDK4CDK6FGFR1CCNA2CCND1
SCHEMBL15035931 0.73 CDK4 (0.36) CDK4CDK6RIPK2CCNA2CCND1

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 408/4885CDK6 299/4885FGFR1 2874/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CDK6 435/4885FGFR1 1919/4885

“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.