SCHEMBL15035013

SCHEMBL15035013

CN1CCCC(c2ccc(Nc3ncc4cc(C(=O)c5ccccc5)c(=O)n(Cc5ccccc5C5=CCCC5)c4n3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.44
JAK3 P52333 3/20 0.41
MAP4K1 Q92918 3/20 0.41
TNK2 Q07912 6/20 0.38
SRC P12931 2/20 0.38
STAT6 P42226 1/20 0.38
PAK4 O96013 1/20 0.38
PKN1 Q16512 1/20 0.38
CDK4 P11802 3/20 0.37
CCND1 P24385 3/20 0.37
FGFR1 P11362 1/20 0.37
CCNA2 P20248 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
CDK2 P24941 1/20 0.37
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
ACVR1 Q04771 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
SCHEMBL15041197 0.94 PTK2 (0.41) PTK2JAK3MAP4K1TNK2SRC
SCHEMBL15034779 0.92 PTK2 (0.42) PTK2JAK3MAP4K1TNK2SRC
SCHEMBL15041744 0.90 PTK2 (0.41) PTK2JAK3MAP4K1TNK2SRC
SCHEMBL15041385 0.79 PTK2 (0.40) PTK2JAK3MAP4K1TNK2SRC
SCHEMBL15041362 0.79 CDK4 (0.40) PTK2JAK3MAP4K1CDK4CCND1
SCHEMBL15041415 0.79 PTK2 (0.39) PTK2JAK3MAP4K1TNK2SRC
SCHEMBL15041187 0.78 PTK2 (0.40) PTK2JAK3MAP4K1TNK2SRC
SCHEMBL15041237 0.78 TNK2 (0.37) JAK3TNK2SRCPAK4PKN1
SCHEMBL15041251 0.77 CSF1R (0.40) PTK2JAK3CDK4CCND1FGFR1
SCHEMBL15041847 0.76 PTK2 (0.42) PTK2JAK3MAP4K1TNK2SRC

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 74/4885JAK3 473/4885MAP4K1 27/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTK2 12/4885JAK3 1901/4885MAP4K1 84/4885

“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.