SCHEMBL4172082

SCHEMBL4172082

Cc1cc(Nc2cnc(C(=O)N[C@H]3CCNC3)c(Nc3ccc(Cl)cc3)n2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 10/20 0.52
IGF1R P08069 2/20 0.46
PLK4 O00444 3/20 0.43
PTK2 Q05397 2/20 0.41
AURKA O14965 2/20 0.39
SUV39H1 O43463 1/20 0.39
PRMT1 Q99873 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
RIPK1 Q13546 1/20 0.39
RET P07949 1/20 0.39
NTRK1 P04629 1/20 0.38

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
SCHEMBL4165938 1.00 PAK4 (0.52) PAK4IGF1RPLK4PTK2AURKA
SCHEMBL4165932 1.00 PAK4 (0.52) PAK4IGF1RPLK4PTK2AURKA
SCHEMBL4165549 0.96 PAK4 (0.49) PAK4IGF1RNTRK1
SCHEMBL4165541 0.96 PAK4 (0.49) PAK4IGF1RNTRK1
SCHEMBL4165865 0.96 PAK4 (0.49) PAK4IGF1RNTRK1
SCHEMBL4167037 0.95 PAK4 (0.58) PAK4IGF1RPLK4PTK2AURKA
SCHEMBL4017086 0.93 PAK4 (0.56) PAK4IGF1RAURKARIPK1RET
SCHEMBL4299093 0.88 PAK4 (0.47) PAK4IGF1RPLK4PTK2AURKA
SCHEMBL4016099 0.88 PAK4 (0.47) PAK4IGF1RPLK4PTK2AURKA
SCHEMBL4299975 0.86 PAK4 (0.43) PAK4PLK4PTK2AURKARIPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US claimed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 WO claimed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 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 (1 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 PAK4 463/4885IGF1R 512/4885PLK4 182/4885

“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.