SCHEMBL4177633

SCHEMBL4177633

Cc1cc(Nc2cncc(-c3cccc(Cl)c3)n2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.52
KDR P35968 6/20 0.48
AURKA O14965 3/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ITK Q08881 1/20 0.45
PLK4 O00444 1/20 0.45
PAK4 O96013 1/20 0.45
GSK3B P49841 2/20 0.44
GSK3A P49840 1/20 0.44
FGFR2 P21802 1/20 0.43
AURKB Q96GD4 1/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CDK1 P06493 1/20 0.43

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
SCHEMBL4172285 0.88 BRAF (0.48) BRAFAURKAITKGSK3BGSK3A
SCHEMBL4020077 0.86 CCNT1 (0.47) KDRAURKAITKPLK4PAK4
SCHEMBL4171445 0.86 GSK3B (0.57) BRAFAURKAITKPLK4PAK4
SCHEMBL4021105 0.84 BRAF (0.53) BRAFKDRAURKANPC1RAB9A
SCHEMBL4175545 0.82 BRAF (0.58) BRAFAURKAITKPLK4GSK3B
SCHEMBL4013453 0.81 JAK2 (0.47) BRAFAURKAITKGSK3BGSK3A
SCHEMBL802341 0.78 GSK3B (0.46) KDRAURKANPC1RAB9AITK
SCHEMBL4996034 0.78 KDR (0.74) BRAFKDRGSK3BGSK3AFGFR2
SCHEMBL13663495 0.77 JAK2 (0.62) KDRAURKAITKPLK4PAK4
SCHEMBL4170239 0.77 JAK2 (0.44) BRAFAURKAITKGSK3BGSK3A

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 BRAF 73/4885KDR 1009/4885AURKA 408/4885

“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.