SCHEMBL4299975

SCHEMBL4299975

Cc1cc(Nc2cnc(C(=O)NCC3CCNC3)c(Nc3ccc(Cl)cc3)n2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 7/20 0.43
TYRO3 Q06418 1/20 0.42
RET P07949 1/20 0.41
PLK4 O00444 2/20 0.40
CHRM1 P11229 1/20 0.39
JAK1 P23458 1/20 0.38
PTK2 Q05397 1/20 0.38
AURKA O14965 2/20 0.38
RIPK1 Q13546 1/20 0.37
NTRK1 P04629 1/20 0.37
CNR2 P34972 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
SCHEMBL4165553 0.95 PAK4 (0.44) PAK4TYRO3RETJAK1
SCHEMBL4170136 0.95 PAK4 (0.44) PAK4TYRO3RETJAK1
SCHEMBL4165562 0.95 PAK4 (0.44) PAK4TYRO3RETJAK1
SCHEMBL4169017 0.95 PAK4 (0.46) PAK4TYRO3RETPLK4CHRM1
SCHEMBL4172082 0.86 PAK4 (0.52) PAK4RETPLK4PTK2AURKA
SCHEMBL4165932 0.86 PAK4 (0.52) PAK4RETPLK4PTK2AURKA
SCHEMBL4165938 0.86 PAK4 (0.52) PAK4RETPLK4PTK2AURKA
SCHEMBL4169145 0.85 RET (0.41) PAK4RETPLK4JAK1AURKA
SCHEMBL4169141 0.85 RET (0.41) PAK4RETPLK4JAK1AURKA
SCHEMBL4308332 0.85 RET (0.41) PAK4RETPLK4JAK1AURKA

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 4 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
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 463/4885TYRO3 369/4885RET 370/4885

“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.