SCHEMBL5222788

SCHEMBL5222788

NS(=O)(=O)c1ccccc1Nc1nc(-c2ccccc2)c2cc(-c3ccco3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
GAA P10253 3/20 0.46
ADORA1 P30542 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGES2 Q9H7Z7 3/20 0.45
ALK Q9UM73 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
TP53 P04637 3/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 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
SCHEMBL5219817 0.90 PTGES2 (0.49) MAPTGAAADORA1MEN1CYP1A2
SCHEMBL5221497 0.85 TP53 (0.50) MAPTADORA1ALKTP53ADORA2A
SCHEMBL5784401 0.81 MAPT (0.59) MAPTGAAADORA1MEN1CYP1A2
SCHEMBL6491612 0.74 CA2 (0.45) MEN1KMT2A
SCHEMBL14409721 0.74 TP53 (0.49) MAPTGAAADORA1MEN1CYP1A2
SCHEMBL5218903 0.72 MAPT (0.49) MAPTGAAADORA1MEN1CYP1A2
SCHEMBL14409730 0.72 MAPT (0.42) MAPTGAAADORA1MEN1CYP1A2
SCHEMBL5221587 0.65 MAPT (0.70) MAPTGAAKMT2ATP53CDK2
SCHEMBL5218874 0.65 TP53 (0.77) MAPTGAAADORA1TP53CDK2
SCHEMBL5224198 0.63 MAPT (0.61) MAPTTP53THRBTDP1RXFP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618094-A1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-01-25 EP claimed
US-20050009817-A1 Substituted heteroaryls INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-13 US claimed
WO-2004099159-A1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed
EP-1618094-B1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INST FOR PHARM DISCOVERY INC (US) 2007-09-05 EP 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-20050009817-A1 Substituted heteroaryls PTPRS, PTPRO, PTPRR MAPT 1878/4885GAA 197/4885ADORA1 3693/4885

“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.