SCHEMBL4298197

SCHEMBL4298197

COc1cc(-c2ncc(Nc3cc(C)[nH]n3)nc2N)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.46
▸ AURKA O14965 8/20 0.39
▸ AURKB Q96GD4 7/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ KIT P10721 2/20 0.38
▸ GSK3B P49841 2/20 0.37
▸ SRC P12931 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ RET P07949 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ TNIK Q9UKE5 1/20 0.35
▸ SYK P43405 1/20 0.35

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
SCHEMBL4171086 0.89 NPC1 (0.41) AURKAAURKBKDM4EALDH1A1ITK
SCHEMBL4162005 0.89 JAK2 (0.39) AURKAAURKBKDM4EALDH1A1ITK
SCHEMBL4169624 0.88 ITK (0.43) AURKAAURKBITKGSK3BSRC
SCHEMBL4300039 0.85 RET (0.46) AURKAAURKBKDM4EALDH1A1ITK
SCHEMBL4179956 0.84 JAK2 (0.43) AURKAAURKBITKKITRET
SCHEMBL4182702 0.84 KIT (0.40) AURKAAURKBITKKITSRC
SCHEMBL4171497 0.83 TNIK (0.45) AURKAAURKBITKKITRET
SCHEMBL4180755 0.83 AURKA (0.46) AURKAAURKBITKGSK3BNPC1
SCHEMBL4169281 0.82 MEN1 (0.43) AURKAAURKBITKGSK3BRET
SCHEMBL4168909 0.81 IKBKB (0.46) DHFRAURKAAURKBALDH1A1ITK

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 DHFR 963/4885AURKA 408/4885AURKB 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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