SCHEMBL4159207

SCHEMBL4159207

COc1ccc(-c2cncc(Nc3cc(C)[nH]n3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
AURKA O14965 4/20 0.48
AURKB Q96GD4 2/20 0.48
PLK4 O00444 1/20 0.47
ACP1 P24666 1/20 0.47
BRAF P15056 5/20 0.46
RET P07949 1/20 0.46
FYN P06241 1/20 0.45
GSK3B P49841 1/20 0.44
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
HPGDS O60760 1/20 0.44
CHEK1 O14757 1/20 0.44
TNIK Q9UKE5 1/20 0.43
PIM3 Q86V86 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
SCHEMBL4021105 0.88 BRAF (0.53) AURKAAURKBBRAFGSK3BPIM3
SCHEMBL4013453 0.87 JAK2 (0.47) CCNT1CDK9AURKAAURKBBRAF
SCHEMBL4020077 0.85 CCNT1 (0.47) CCNT1CDK9AURKAPLK4RET
SCHEMBL13663575 0.85 AURKA (0.54) AURKAAURKBPLK4BRAFGSK3B
SCHEMBL4171445 0.84 GSK3B (0.57) CCNT1CDK9AURKAAURKBPLK4
SCHEMBL4170239 0.82 JAK2 (0.44) CCNT1CDK9AURKABRAFGSK3B
SCHEMBL4172285 0.79 BRAF (0.48) CCNT1CDK9AURKAAURKBBRAF
SCHEMBL13663495 0.78 JAK2 (0.62) AURKAAURKBPLK4GSK3BJAK2
SCHEMBL13663485 0.78 AURKA (0.58) AURKAAURKBBRAFJAK2JAK3
SCHEMBL4300039 0.77 RET (0.46) AURKAAURKBPLK4RETGSK3B

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 CCNT1 1278/4885CDK9 169/4885AURKA 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.