SCHEMBL5221587

SCHEMBL5221587

NS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
RXFP1 Q9HBX9 2/20 0.70
THRB P10828 1/20 0.70
TP53 P04637 2/20 0.64
ADRB2 P07550 1/20 0.55
POLB P06746 1/20 0.54
CCNT1 O60563 1/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CDK2 P24941 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54
CCNH P51946 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL5224198 0.89 MAPT (0.61) MAPTRXFP1THRBTP53ADRB2
SCHEMBL5225221 0.87 MAPT (0.65) MAPTRXFP1THRBTP53ADRB2
SCHEMBL5218874 0.86 TP53 (0.77) MAPTRXFP1THRBTP53CCNT1
SCHEMBL5219688 0.83 MAPT (0.69) MAPTRXFP1THRBTP53ADRB2
SCHEMBL5784401 0.83 MAPT (0.59) MAPTRXFP1THRBTP53ADRB2
SCHEMBL5221497 0.81 TP53 (0.50) MAPTRXFP1THRBTP53CCNT1
SCHEMBL5047363 0.81 MAPT (0.69) MAPTRXFP1THRBTP53ADRB2
SCHEMBL5220994 0.81 MAPT (0.76) MAPTRXFP1THRBTP53ADRB2
SCHEMBL6489253 0.81 MAPT (0.83) MAPTRXFP1THRBTP53ADRB2
SCHEMBL6480075 0.80 TDP1 (0.53) MAPTRXFP1THRBPOLBL3MBTL1

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 6 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
EP-1618094-B1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INST FOR PHARM DISCOVERY INC (US) 2007-09-05 EP disclosed
US-20050009817-A1 Substituted heteroaryls INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-13 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-20050009817-A1 Substituted heteroaryls PTPRS, PTPRO, PTPRR MAPT 1878/4885RXFP1 4220/4885THRB 529/4885

“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.