SCHEMBL5220994

SCHEMBL5220994

CC(=O)Nc1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.76
RXFP1 Q9HBX9 2/20 0.76
THRB P10828 1/20 0.76
POLB P06746 1/20 0.68
TP53 P04637 3/20 0.66
BACE1 P56817 1/20 0.58
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 2/20 0.53
ATM Q13315 1/20 0.53
PTGFR P43088 2/20 0.53
ADRB2 P07550 1/20 0.51
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL6489253 0.89 MAPT (0.83) MAPTRXFP1THRBPOLBTP53
SCHEMBL5219984 0.81 MAPT (0.71) MAPTRXFP1THRBPOLBTP53
SCHEMBL11710848 0.81 POLB (1.00) MAPTRXFP1THRBPOLBTP53
SCHEMBL5221587 0.81 MAPT (0.70) MAPTRXFP1THRBPOLBTP53
SCHEMBL5047363 0.80 MAPT (0.69) MAPTRXFP1THRBPOLBTP53
SCHEMBL5219688 0.80 MAPT (0.69) MAPTRXFP1THRBPOLBTP53
SCHEMBL5784413 0.78 MAPT (0.72) MAPTRXFP1THRBPOLBTP53
SCHEMBL5225221 0.77 MAPT (0.65) MAPTRXFP1THRBPOLBTP53
SCHEMBL5224806 0.76 MAPT (0.64) MAPTRXFP1THRBPOLBTP53
SCHEMBL5224298 0.76 MAPT (0.60) MAPTRXFP1THRBPOLBTP53

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 5 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
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.