SCHEMBL4170136

SCHEMBL4170136

Cc1cc(Nc2cnc(C(=O)NC[C@@H]3CCCNC3)c(Nc3ccc(Cl)cc3)n2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 6/20 0.44
SYK P43405 1/20 0.42
JAK1 P23458 1/20 0.40
RET P07949 1/20 0.40
PBK Q96KB5 1/20 0.39
TYRO3 Q06418 1/20 0.38
CHEK2 O96017 1/20 0.38
MET P08581 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
SCHEMBL4165562 1.00 PAK4 (0.44) PAK4SYKJAK1RETPBK
SCHEMBL4165553 1.00 PAK4 (0.44) PAK4SYKJAK1RETPBK
SCHEMBL4299975 0.95 PAK4 (0.43) PAK4JAK1RETTYRO3
SCHEMBL4169017 0.90 PAK4 (0.46) PAK4RETTYRO3
SCHEMBL4308332 0.87 RET (0.41) PAK4SYKJAK1RET
SCHEMBL4169145 0.87 RET (0.41) PAK4SYKJAK1RET
SCHEMBL4169141 0.87 RET (0.41) PAK4SYKJAK1RET
SCHEMBL4165549 0.87 PAK4 (0.49) PAK4SYKPBK
SCHEMBL4165541 0.87 PAK4 (0.49) PAK4SYKPBK
SCHEMBL4165865 0.87 PAK4 (0.49) PAK4SYKPBK

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 463/4885SYK 250/4885JAK1 33/4885

“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.