SCHEMBL4302253

SCHEMBL4302253

COCc1cc(-c2ncc(Nc3cc(C)[nH]n3)nc2N)ccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.37
▸ ITK Q08881 1/20 0.34
▸ JAK2 O60674 6/20 0.34
▸ JAK3 P52333 5/20 0.34
▸ NTRK1 P04629 4/20 0.33
▸ PIK3C3 Q8NEB9 2/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ NTRK2 Q16620 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ RET P07949 3/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ STAT5B P51692 1/20 0.32

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
SCHEMBL4182702 0.88 KIT (0.40) ITKJAK2JAK3PIK3C3SYK
SCHEMBL4170524 0.86 MEN1 (0.38) ITKJAK2JAK3NTRK1PIK3C3
SCHEMBL4166686 0.82 DHODH (0.40) DHODHITKJAK2JAK3NTRK1
SCHEMBL13663535 0.78 DHODH (0.48) DHODHJAK2JAK3NTRK1PIK3C3
SCHEMBL4300039 0.77 RET (0.46) ITKRETAURKB
SCHEMBL4162005 0.77 JAK2 (0.39) ITKJAK2JAK3NTRK1RET
SCHEMBL4169624 0.77 ITK (0.43) DHODHITKJAK2JAK3NTRK1
SCHEMBL4303875 0.77 JAK2 (0.49) ITKJAK2JAK3NTRK1RET
SCHEMBL4298197 0.76 DHFR (0.46) ITKJAK2JAK3SYKRET
SCHEMBL4179956 0.76 JAK2 (0.43) DHODHITKJAK2JAK3NTRK1

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 2 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
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 DHODH 3096/4885ITK 951/4885JAK2 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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