SCHEMBL15041342

SCHEMBL15041342

CN(c1ccc(Nc2ncc3cc(Oc4ccccc4F)c(=O)n(Cc4sccc4C4CC4)c3n2)cc1)C1CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.40
MAPK8 P45983 7/20 0.40
CDK4 P11802 3/20 0.35
CCND1 P24385 2/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
PTK2 Q05397 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
GAK O14976 1/20 0.34
RPS6KA4 O75676 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1D P48730 1/20 0.34
RPS6KA3 P51812 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL15034799 0.93 CDK4 (0.36) MAPK8CDK4CCND1FGFR1FGFR2
SCHEMBL15041774 0.88 MAPK14 (0.41) MAPK14MAPK8CDK4CCND1FGFR1
SCHEMBL15041830 0.84 RIPK2 (0.45) MAPK14MAPK8CDK4CCND1PTK2
SCHEMBL15041408 0.83 MAPK8 (0.40) MAPK14MAPK8CDK4CCND1FGFR1
SCHEMBL15041603 0.83 MAPK14 (0.39) MAPK14MAPK8CDK4CCND1FGFR1
SCHEMBL15041629 0.81 MAPK14 (0.38) MAPK14MAPK8CDK4GAKRPS6KA4
SCHEMBL15035023 0.81 CDK4 (0.38) MAPK8CDK4CCND1FGFR1FGFR2
SCHEMBL15041553 0.79 CDK4 (0.41) MAPK14MAPK8CDK4CCND1FGFR1
SCHEMBL15041308 0.77 MAPK14 (0.40) MAPK14MAPK8CDK4CCND1FGFR1
SCHEMBL15041311 0.76 CDK4 (0.40) MAPK14MAPK8CDK4CCND1FGFR1

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 MAPK14 139/4885MAPK8 14/4885CDK4 408/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 MAPK14 382/4885MAPK8 493/4885CDK4 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.