SCHEMBL4171086

SCHEMBL4171086

COc1cc(-c2ncc(Nc3cc(C)[nH]n3)nc2N)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ AURKA O14965 5/20 0.38
▸ AURKB Q96GD4 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ RET P07949 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37

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
SCHEMBL4298197 0.89 DHFR (0.46) NPC1GAARAB9AATMAURKA
SCHEMBL4168909 0.88 IKBKB (0.46) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL4162005 0.88 JAK2 (0.39) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL4169281 0.87 MEN1 (0.43) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL4165767 0.86 MGAM (0.44) GAAAURKAAURKBITKCYP1A2
SCHEMBL4161611 0.86 IGF1R (0.40) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL4168663 0.85 AURKB (0.43) MEN1HTTKMT2AHSD17B10AURKA
SCHEMBL4170524 0.85 MEN1 (0.38) NPC1GAARAB9AATMMEN1
SCHEMBL4300039 0.84 RET (0.46) GAADYRK1AMEN1KMT2AAURKA
SCHEMBL4179012 0.83 MEN1 (0.46) NPC1RAB9AMEN1HTTKMT2A

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 NPC1 2810/4885GAA 3207/4885RAB9A 2850/4885

“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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