SCHEMBL13663535

SCHEMBL13663535

COCc1cc(Nc2cncc(Nc3cc(C)[nH]n3)n2)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.48
▸ JAK2 O60674 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ PIK3C3 Q8NEB9 2/20 0.39
▸ TRPA1 O75762 1/20 0.36
▸ NTRK1 P04629 4/20 0.35
▸ BRAF P15056 3/20 0.35
▸ AURKA O14965 5/20 0.35
▸ AURKB Q96GD4 3/20 0.35
▸ SYK P43405 1/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ PLK4 O00444 1/20 0.33

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
SCHEMBL4299118 0.88 DHODH (0.50) DHODHJAK2JAK3PIK3C3NTRK1
SCHEMBL13663573 0.86 JAK2 (0.43) DHODHJAK2JAK3BRAFAURKA
SCHEMBL13663512 0.84 JAK2 (0.42) DHODHJAK2JAK3PIK3C3BRAF
SCHEMBL13769289 0.82 DHODH (0.53) DHODHJAK2JAK3PIK3C3NTRK1
SCHEMBL13663502 0.80 DHODH (0.53) DHODHJAK2JAK3PIK3C3AURKA
SCHEMBL4166700 0.79 DHODH (0.46) DHODHJAK2JAK3PIK3C3BRAF
SCHEMBL13663556 0.78 DHODH (0.80) DHODHJAK2JAK3PIK3C3NTRK1
SCHEMBL4302253 0.78 DHODH (0.37) DHODHJAK2JAK3PIK3C3TRPA1
SCHEMBL4170907 0.75 JAK2 (0.45) DHODHJAK2JAK3AURKAAURKB
SCHEMBL4174651 0.74 JAK2 (0.41) DHODHJAK2JAK3BRAFAURKA

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 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 DHODH 3096/4885JAK2 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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