SCHEMBL4183689

SCHEMBL4183689

Cc1cc(Nc2cncc(Nc3ccc(Cl)c(C#N)c3)n2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.55
AURKA O14965 8/20 0.45
AURKB Q96GD4 5/20 0.45
JAK3 P52333 7/20 0.44
JAK2 O60674 6/20 0.43
DHODH Q02127 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
NTRK1 P04629 2/20 0.39
CDK2 P24941 2/20 0.39
MUSK O15146 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 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
SCHEMBL13663558 0.86 AURKA (0.54) AURKAAURKBJAK3JAK2DHODH
SCHEMBL13663498 0.84 JAK2 (0.47) AURKAAURKBJAK3JAK2DHODH
SCHEMBL4014404 0.82 JAK2 (0.46) AURKAAURKBJAK3JAK2DHODH
SCHEMBL13663486 0.82 AURKA (0.57) AURKAAURKBJAK3JAK2DHODH
SCHEMBL4176790 0.82 AURKA (0.56) AURKAAURKBJAK3JAK2DHODH
SCHEMBL13663505 0.81 NPC1 (0.47) AURKAAURKBJAK3JAK2DHODH
SCHEMBL13663482 0.80 AURKA (0.53) IDO1AURKAJAK3JAK2DHODH
SCHEMBL13663502 0.80 DHODH (0.53) AURKAAURKBJAK3JAK2DHODH
SCHEMBL4159060 0.80 IDO1 (0.44) IDO1AURKAAURKBJAK3JAK2
SCHEMBL4162147 0.79 ABCG2 (0.48) AURKAAURKBJAK3JAK2CYP3A4

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 IDO1 676/4885AURKA 408/4885AURKB 322/4885

“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.