SCHEMBL4180755

SCHEMBL4180755

COc1cccc(-c2ncc(Nc3cc(C)[nH]n3)nc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.46
▸ AURKB Q96GD4 4/20 0.46
▸ ITK Q08881 1/20 0.44
▸ BTK Q06187 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ADORA2A P29274 2/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ EGFR P00533 2/20 0.39

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
SCHEMBL4300039 0.88 RET (0.46) AURKAAURKBITKBTKGAA
SCHEMBL4159357 0.83 ITK (0.44) AURKAAURKBITKGSK3BEGFR
SCHEMBL4298197 0.83 DHFR (0.46) AURKAAURKBITKGAANPC1
SCHEMBL4171497 0.81 TNIK (0.45) AURKAAURKBITKPIK3CG
SCHEMBL4171086 0.81 NPC1 (0.41) AURKAAURKBITKGAANPC1
SCHEMBL4162005 0.81 JAK2 (0.39) AURKAAURKBITKCDK2PIK3CG
SCHEMBL4169624 0.81 ITK (0.43) AURKAAURKBITKCDK2GSK3B
SCHEMBL4021105 0.80 BRAF (0.53) AURKAAURKBITKNPC1RAB9A
SCHEMBL4168909 0.79 IKBKB (0.46) AURKAAURKBITKBTK
SCHEMBL4179012 0.78 MEN1 (0.46) AURKAITKNPC1RAB9AGSK3B

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 AURKA 408/4885AURKB 322/4885ITK 951/4885

“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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