SCHEMBL4308332

SCHEMBL4308332

Cc1cc(Nc2cnc(C(=O)NC[C@H]3CCCN3)c(Nc3ccc(Cl)cc3)n2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.41
PAK4 O96013 4/20 0.39
SYK P43405 3/20 0.39
KCNH2 Q12809 3/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
AURKB Q96GD4 1/20 0.39
JAK1 P23458 2/20 0.38
IKBKB O14920 4/20 0.38
MAPK10 P53779 1/20 0.38
AURKA O14965 1/20 0.38
CHEK1 O14757 1/20 0.37
PLK4 O00444 3/20 0.37
NTRK1 P04629 1/20 0.37
CHUK O15111 1/20 0.37
CDK2 P24941 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
SCHEMBL4169145 1.00 RET (0.41) RETPAK4SYKKCNH2MAPK3
SCHEMBL4169141 1.00 RET (0.41) RETPAK4SYKKCNH2MAPK3
SCHEMBL4169060 0.98 RET (0.40) RETPAK4SYKKCNH2MAPK3
SCHEMBL4170136 0.87 PAK4 (0.44) RETPAK4SYKJAK1
SCHEMBL4165562 0.87 PAK4 (0.44) RETPAK4SYKJAK1
SCHEMBL4165553 0.87 PAK4 (0.44) RETPAK4SYKJAK1
SCHEMBL4169017 0.87 PAK4 (0.46) RETPAK4AURKAPLK4
SCHEMBL4166423 0.86 RET (0.40) RETPAK4SYKAURKBAURKA
SCHEMBL4165560 0.86 RET (0.40) RETPAK4SYKAURKBAURKA
SCHEMBL4165554 0.86 RET (0.40) RETPAK4SYKAURKBAURKA

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 1 patent. 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

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 370/4885PAK4 463/4885SYK 250/4885

“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.