SCHEMBL4169017

SCHEMBL4169017

Cc1cc(Nc2cnc(C(=O)NCC3CCNCC3)c(Nc3ccc(Cl)cc3)n2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 4/20 0.46
CHRM1 P11229 7/20 0.43
PLK4 O00444 1/20 0.42
PTK2 Q05397 1/20 0.42
RET P07949 1/20 0.41
CNR2 P34972 1/20 0.41
TYRO3 Q06418 1/20 0.41
CHRM3 P20309 2/20 0.40
FLT3 P36888 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
AURKA O14965 2/20 0.40
RIPK1 Q13546 1/20 0.40
NR3C1 P04150 1/20 0.39

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
SCHEMBL4299975 0.95 PAK4 (0.43) PAK4CHRM1PLK4PTK2RET
SCHEMBL4170136 0.90 PAK4 (0.44) PAK4RETTYRO3
SCHEMBL4165562 0.90 PAK4 (0.44) PAK4RETTYRO3
SCHEMBL4165553 0.90 PAK4 (0.44) PAK4RETTYRO3
SCHEMBL4167037 0.87 PAK4 (0.58) PAK4PLK4PTK2RETAURKA
SCHEMBL4308332 0.87 RET (0.41) PAK4PLK4RETAURKA
SCHEMBL4169141 0.87 RET (0.41) PAK4PLK4RETAURKA
SCHEMBL4169145 0.87 RET (0.41) PAK4PLK4RETAURKA
SCHEMBL4169060 0.86 RET (0.40) PAK4PLK4RETAURKA
SCHEMBL4165554 0.85 RET (0.40) PAK4PLK4RETAURKA

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 5 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
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
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 463/4885CHRM1 2077/4885PLK4 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.