SCHEMBL15041744

SCHEMBL15041744

CN1CCCC(c2ccc(Nc3ncc4cc(C(=O)c5ccccc5)c(=O)n(Cc5cncnc5C5=CCCC5)c4n3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.41
JAK3 P52333 3/20 0.38
STAT6 P42226 1/20 0.36
ACVR1 Q04771 1/20 0.36
MAP4K1 Q92918 3/20 0.36
PAK4 O96013 1/20 0.35
PKN1 Q16512 1/20 0.35
SRC P12931 3/20 0.34
TNK2 Q07912 3/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
FGFR1 P11362 1/20 0.34
CCNA2 P20248 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
CDK2 P24941 1/20 0.34
CSF1R P07333 3/20 0.34
NTRK1 P04629 1/20 0.34
INSR P06213 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
SCHEMBL15034779 0.92 PTK2 (0.42) PTK2JAK3STAT6ACVR1MAP4K1
SCHEMBL15035013 0.90 PTK2 (0.44) PTK2JAK3STAT6ACVR1MAP4K1
SCHEMBL15041197 0.90 PTK2 (0.41) PTK2JAK3STAT6ACVR1MAP4K1
SCHEMBL15041417 0.79 WEE1 (0.45) JAK3PAK4PKN1SRCCDK4
SCHEMBL15041385 0.79 PTK2 (0.40) PTK2JAK3STAT6ACVR1MAP4K1
SCHEMBL15041251 0.78 CSF1R (0.40) PTK2JAK3CDK4CCND1FGFR1
SCHEMBL15034922 0.78 WEE1 (0.45) JAK3PAK4PKN1SRCCDK4
SCHEMBL15041415 0.77 PTK2 (0.39) PTK2JAK3STAT6MAP4K1PAK4
SCHEMBL15041187 0.76 PTK2 (0.40) PTK2JAK3STAT6ACVR1MAP4K1
SCHEMBL15041237 0.76 TNK2 (0.37) JAK3PAK4PKN1SRCTNK2

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 473/4885STAT6 1415/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTK2 12/4885JAK3 1901/4885STAT6 1116/4885

“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.