SCHEMBL15034812

SCHEMBL15034812

CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(Cc2cnoc2C2CCNC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.37
PKN1 Q16512 2/20 0.37
CDK4 P11802 8/20 0.36
CCND1 P24385 8/20 0.36
FGFR1 P11362 7/20 0.36
FGFR2 P21802 6/20 0.36
FGFR4 P22455 6/20 0.36
FGFR3 P22607 6/20 0.36
CCNA2 P20248 5/20 0.36
CDK2 P24941 5/20 0.36
JAK3 P52333 3/20 0.36
CCND2 P30279 2/20 0.34
CCND3 P30281 2/20 0.34
IGF1R P08069 2/20 0.34
WEE1 P30291 1/20 0.33
PAK1 Q13153 1/20 0.33
TNK2 Q07912 3/20 0.33

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
SCHEMBL15035029 0.82 CDK4 (0.37) PAK4PKN1CDK4CCND1FGFR1
SCHEMBL15034919 0.77 CDK4 (0.37) PAK4PKN1CDK4CCND1FGFR1
SCHEMBL15035751 0.74 RIPK2 (0.37) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15041190 0.74 RIPK2 (0.35) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15034896 0.74 CDK4 (0.41) PAK4PKN1CDK4CCND1FGFR1
SCHEMBL15034949 0.73 CDK4 (0.38) CDK4CCND1FGFR1FGFR2FGFR4
SCHEMBL15035038 0.72 JAK3 (0.39) PAK4PKN1CDK4CCND1FGFR1
SCHEMBL15035675 0.72 CCND1 (0.35) PAK4PKN1CDK4CCND1FGFR1
SCHEMBL15034873 0.71
SCHEMBL15036243 0.71 PAK4 (0.36) PAK4PKN1CDK4CCND1FGFR1

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 PAK4 5/4885PKN1 604/4885CDK4 408/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK4 5/4885PKN1 326/4885CDK4 404/4885

“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.