SCHEMBL4169624

SCHEMBL4169624

Cc1cc(Nc2cnc(-c3ccc(C)c(C)c3)c(N)n2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.43
▸ SYK P43405 1/20 0.40
▸ JAK2 O60674 8/20 0.39
▸ JAK3 P52333 6/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ AURKB Q96GD4 7/20 0.37
▸ NTRK1 P04629 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ STAT5B P51692 1/20 0.36
▸ AURKA O14965 5/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ SRC P12931 1/20 0.36
▸ EIF2AK2 P19525 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ FLT4 P35916 1/20 0.36

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
SCHEMBL4169281 0.90 MEN1 (0.43) ITKSYKJAK2JAK3MEN1
SCHEMBL4179956 0.90 JAK2 (0.43) ITKSYKJAK2JAK3MEN1
SCHEMBL4298197 0.88 DHFR (0.46) ITKSYKJAK2JAK3AURKB
SCHEMBL4168909 0.86 IKBKB (0.46) ITKSYKJAK2JAK3MEN1
SCHEMBL4159458 0.86 JAK2 (0.41) ITKSYKJAK2JAK3MEN1
SCHEMBL4179012 0.85 MEN1 (0.46) ITKSYKJAK2JAK3MEN1
SCHEMBL4303875 0.85 JAK2 (0.49) ITKJAK2JAK3AURKBNTRK1
SCHEMBL4168663 0.85 AURKB (0.43) ITKJAK2JAK3MEN1HTT
SCHEMBL4182702 0.85 KIT (0.40) ITKSYKJAK2JAK3AURKB
SCHEMBL4167808 0.84 ITK (0.40) ITKSYKJAK2JAK3MEN1

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 951/4885SYK 250/4885JAK2 39/4885

“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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