SCHEMBL5223547

SCHEMBL5223547

COC(=O)c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.72
MAPT P10636 8/20 0.63
GAA P10253 3/20 0.63
LMNA P02545 2/20 0.63
KDM4E B2RXH2 2/20 0.63
HPGD P15428 2/20 0.63
HTT P42858 1/20 0.63
RXFP1 Q9HBX9 2/20 0.60
THRB P10828 1/20 0.60
ADORA1 P30542 2/20 0.57
BACE1 P56817 1/20 0.57
KDR P35968 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAT2A P31153 1/20 0.52
MAPK1 P28482 1/20 0.52
PDE5A O76074 1/20 0.52
ABCC1 P33527 1/20 0.52
ABCG2 Q9UNQ0 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
SCHEMBL4138123 0.84 TP53 (0.68) TP53MAPTGAALMNAKDM4E
SCHEMBL4154829 0.82 BACE1 (0.66) TP53MAPTGAALMNAKDM4E
SCHEMBL7254867 0.81 PIN1 (0.57) TP53MAPTKDM4EHPGDRXFP1
SCHEMBL4135483 0.81 BACE1 (0.68) TP53MAPTGAALMNAKDM4E
SCHEMBL4137930 0.81 TP53 (0.67) TP53MAPTGAALMNAKDM4E
SCHEMBL4138847 0.80 BACE1 (0.64) TP53MAPTGAALMNAKDM4E
SCHEMBL4146923 0.80 BACE1 (0.66) TP53MAPTGAALMNAKDM4E
SCHEMBL4142398 0.80 BACE1 (0.66) TP53MAPTGAALMNAKDM4E
SCHEMBL12136807 0.79 TP53 (0.64) TP53MAPTGAALMNAKDM4E
SCHEMBL24109317 0.79 MAT2A (0.61) TP53MAPTGAAKDM4EADORA1

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 TP53 680/4885MAPT 1878/4885GAA 197/4885

“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.