SCHEMBL4161742

SCHEMBL4161742

Cc1cc(Nc2cnc(-c3ccccc3F)c(N)n2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.44
▸ JAK2 O60674 7/20 0.42
▸ JAK3 P52333 6/20 0.42
▸ PLK4 O00444 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ NTRK1 P04629 7/20 0.41
▸ IGF1R P08069 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ AURKB Q96GD4 5/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ STAT5B P51692 1/20 0.39
▸ AURKA O14965 3/20 0.39
▸ SRC P12931 1/20 0.38
▸ GSK3B P49841 1/20 0.38

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
SCHEMBL4171771 0.85 MEN1 (0.42) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL4303875 0.81 JAK2 (0.49) ITKJAK2JAK3PLK4PAK4
SCHEMBL4179956 0.81 JAK2 (0.43) ITKJAK2JAK3PLK4PAK4
SCHEMBL4168663 0.79 AURKB (0.43) ITKJAK2JAK3PLK4PAK4
SCHEMBL4164963 0.78 MEN1 (0.49) ITKPLK4PAK4NTRK1AURKB
SCHEMBL4173931 0.78 MEN1 (0.43) ITKJAK2JAK3PLK4PAK4
SCHEMBL4162005 0.77 JAK2 (0.39) ITKJAK2JAK3NTRK1CYP3A4
SCHEMBL3965067 0.76 NTRK1 (0.47) ITKJAK2JAK3PLK4PAK4
SCHEMBL4169624 0.76 ITK (0.43) ITKJAK2JAK3NTRK1IGF1R
SCHEMBL4179012 0.76 MEN1 (0.46) ITKJAK2JAK3PLK4PAK4

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 3 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

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 ITK 951/4885JAK2 39/4885JAK3 35/4885

“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.

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