SCHEMBL4169060

SCHEMBL4169060

Cc1cc(Nc2cnc(C(=O)NCC3CCCCN3)c(Nc3ccc(Cl)cc3)n2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
SYK P43405 3/20 0.40
KCNH2 Q12809 3/20 0.40
PAK4 O96013 4/20 0.39
JAK1 P23458 2/20 0.39
PLK4 O00444 2/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
AURKB Q96GD4 1/20 0.37
PBK Q96KB5 2/20 0.37
NTRK1 P04629 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL4308332 0.98 RET (0.41) RETSYKKCNH2PAK4JAK1
SCHEMBL4169145 0.98 RET (0.41) RETSYKKCNH2PAK4JAK1
SCHEMBL4169141 0.98 RET (0.41) RETSYKKCNH2PAK4JAK1
SCHEMBL4169017 0.86 PAK4 (0.46) RETPAK4PLK4AURKA
SCHEMBL4165554 0.86 RET (0.40) RETSYKPAK4PLK4AURKA
SCHEMBL4165560 0.86 RET (0.40) RETSYKPAK4PLK4AURKA
SCHEMBL4166423 0.86 RET (0.40) RETSYKPAK4PLK4AURKA
SCHEMBL4170136 0.85 PAK4 (0.44) RETSYKPAK4JAK1PBK
SCHEMBL4165562 0.85 PAK4 (0.44) RETSYKPAK4JAK1PBK
SCHEMBL4165553 0.85 PAK4 (0.44) RETSYKPAK4JAK1PBK

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 RET 370/4885SYK 250/4885KCNH2 2580/4885

“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.