SCHEMBL4303875

SCHEMBL4303875

Cc1cc(Nc2cnc(-c3ccc(F)cc3)c(N)n2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 10/20 0.49
▸ JAK3 P52333 9/20 0.48
▸ AURKB Q96GD4 6/20 0.45
▸ NTRK1 P04629 4/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ AURKA O14965 4/20 0.45
▸ RET P07949 1/20 0.44
▸ PLK4 O00444 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ STAT5B P51692 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ SRC P12931 1/20 0.41
▸ EIF2AK2 P19525 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C8 P10632 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ JAK1 P23458 3/20 0.40
▸ TYK2 P29597 3/20 0.40

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
SCHEMBL4179012 0.88 MEN1 (0.46) JAK2JAK3NTRK1AURKARET
SCHEMBL4179956 0.87 JAK2 (0.43) JAK2JAK3AURKBNTRK1CDK2
SCHEMBL4167343 0.86 ITK (0.41) JAK2JAK3AURKBAURKARET
SCHEMBL4300039 0.86 RET (0.46) AURKBAURKARETPLK4ITK
SCHEMBL4169624 0.85 ITK (0.43) JAK2JAK3AURKBNTRK1CDK2
SCHEMBL4168663 0.85 AURKB (0.43) JAK2JAK3AURKBNTRK1CDK2
SCHEMBL4162005 0.83 JAK2 (0.39) JAK2JAK3AURKBNTRK1CDK2
SCHEMBL4168909 0.83 IKBKB (0.46) JAK2JAK3AURKBNTRK1AURKA
SCHEMBL4169281 0.82 MEN1 (0.43) JAK2JAK3AURKBNTRK1AURKA
SCHEMBL4167301 0.82 JAK2 (0.44) JAK2JAK3AURKBNTRK1CDK2

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 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.

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