SCHEMBL15041750

SCHEMBL15041750

O=C(c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2cnoc2-c2nccs2)c1=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.39
CDK4 P11802 7/20 0.37
CCND1 P24385 7/20 0.37
FGFR1 P11362 5/20 0.37
CCNA2 P20248 5/20 0.37
FGFR2 P21802 5/20 0.37
FGFR4 P22455 5/20 0.37
FGFR3 P22607 5/20 0.37
CDK2 P24941 5/20 0.37
BRAF P15056 1/20 0.34
CCND2 P30279 2/20 0.33
CCND3 P30281 2/20 0.33
CSF1R P07333 1/20 0.33
CCNA1 P78396 1/20 0.33
PAK4 O96013 1/20 0.33
PKN1 Q16512 1/20 0.33
JAK3 P52333 1/20 0.32

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
SCHEMBL15034866 0.94 PTK2 (0.36) PTK2CDK4CCND1FGFR1CCNA2
SCHEMBL15041843 0.82 PTK2 (0.42) PTK2CDK4CCND1FGFR1CCNA2
SCHEMBL15041767 0.82 PTK2 (0.38) PTK2CDK4CCND1FGFR1CCNA2
SCHEMBL15041249 0.80 CDK4 (0.39) PTK2CDK4CCND1FGFR1CCNA2
SCHEMBL15041771 0.80 CDK4 (0.39) PTK2CDK4CCND1FGFR1CCNA2
SCHEMBL15041419 0.79 CDK4 (0.39) PTK2CDK4CCND1FGFR1CCNA2
SCHEMBL15035017 0.78 CDK4 (0.37) PTK2CDK4CCND1FGFR1CCNA2
SCHEMBL15041592 0.77 PTK2 (0.39) PTK2CDK4CCND1FGFR1CCNA2
SCHEMBL15041755 0.77 CDK4 (0.36) PTK2CDK4CCND1FGFR1CCNA2
SCHEMBL15035754 0.76 PTK2 (0.39) PTK2CDK4CCND1FGFR1CCNA2

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 PTK2 74/4885CDK4 408/4885CCND1 3984/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTK2 12/4885CDK4 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.