SCHEMBL4170956

SCHEMBL4170956

COC(=O)c1ncc(Nc2cc(C)[nH]n2)nc1Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.48
JAK3 P52333 5/20 0.45
AURKB Q96GD4 4/20 0.45
NTRK1 P04629 3/20 0.45
CDK2 P24941 2/20 0.45
AURKA O14965 9/20 0.44
STAT5B P51692 1/20 0.43
RET P07949 2/20 0.42
DHODH Q02127 1/20 0.41

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
SCHEMBL4171041 0.90 POLB (0.45) AURKBAURKARET
SCHEMBL4016282 0.87 JAK2 (0.48) JAK2JAK3AURKBNTRK1CDK2
SCHEMBL4178714 0.79 CSNK2A1 (0.45) AURKBNTRK1AURKARET
SCHEMBL4171606 0.78 AURKA (0.44) JAK2JAK3AURKBCDK2AURKA
SCHEMBL4173212 0.77 RET (0.44) AURKBCDK2AURKARETDHODH
SCHEMBL4013534 0.76 AURKA (0.43) AURKBAURKARET
SCHEMBL13663557 0.75 JAK2 (0.62) JAK2JAK3AURKBNTRK1CDK2
SCHEMBL4168003 0.74 KDR (0.44) JAK2JAK3AURKBCDK2AURKA
SCHEMBL4304592 0.73 RET (0.47) AURKARET
SCHEMBL4160448 0.73 RET (0.45) AURKBNTRK1AURKARET

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 JAK2 39/4885JAK3 35/4885AURKB 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.