SCHEMBL4172285

SCHEMBL4172285

Cc1cccc(-c2cncc(Nc3cc(C)[nH]n3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.48
ITK Q08881 1/20 0.47
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
JAK2 O60674 2/20 0.45
JAK3 P52333 2/20 0.45
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
IDO1 P14902 1/20 0.43
METAP2 P50579 1/20 0.43
KARS1 Q15046 2/20 0.43
AURKA O14965 2/20 0.43
SRC P12931 1/20 0.43
EIF2AK2 P19525 1/20 0.43
AURKB Q96GD4 1/20 0.43
FYN P06241 1/20 0.40

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
SCHEMBL4171445 0.88 GSK3B (0.57) BRAFITKGSK3AGSK3BCCNT1
SCHEMBL4177633 0.88 BRAF (0.52) BRAFITKGSK3AGSK3BJAK2
SCHEMBL4021105 0.86 BRAF (0.53) BRAFITKGSK3BPIM1PIM3
SCHEMBL4013453 0.85 JAK2 (0.47) BRAFITKGSK3AGSK3BCCNT1
SCHEMBL4175545 0.84 BRAF (0.58) BRAFITKGSK3AGSK3BJAK2
SCHEMBL13663484 0.82 JAK2 (0.49) BRAFITKGSK3BJAK2JAK3
SCHEMBL4020077 0.81 CCNT1 (0.47) ITKGSK3AGSK3BCCNT1CDK9
SCHEMBL13663495 0.79 JAK2 (0.62) ITKGSK3AGSK3BJAK2JAK3
SCHEMBL4159207 0.79 CCNT1 (0.48) BRAFGSK3BCCNT1CDK9JAK2
SCHEMBL4170239 0.79 JAK2 (0.44) BRAFITKGSK3AGSK3BCCNT1

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 73/4885ITK 951/4885GSK3A 437/4885

“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.