SCHEMBL5220867

SCHEMBL5220867

Cc1ccc(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4cc(C)ccc4n3)cc2)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
TP53 P04637 4/20 0.62
BACE1 P56817 1/20 0.58
GAA P10253 4/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
THRB P10828 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KDM4E B2RXH2 5/20 0.53
KLK7 P49862 1/20 0.53
ALDH1A1 P00352 5/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4138365 0.88 MAPT (0.62) MAPTTP53BACE1GAAMEN1
SCHEMBL27963381 0.88 MAPT (0.64) MAPTTP53BACE1GAAMEN1
SCHEMBL12693657 0.86 MAPT (0.53) MAPTTP53BACE1GAAMEN1
SCHEMBL12136807 0.86 TP53 (0.64) MAPTTP53BACE1GAAMEN1
SCHEMBL4154829 0.84 BACE1 (0.66) MAPTTP53BACE1GAAMEN1
SCHEMBL27803147 0.83 MAPT (0.55) MAPTTP53BACE1GAAMEN1
SCHEMBL4135635 0.81 BACE1 (0.49) MAPTTP53BACE1MEN1KMT2A
SCHEMBL4144830 0.80 MAPT (0.56) MAPTTP53BACE1MEN1KMT2A
SCHEMBL4129999 0.79 HDAC1 (0.48) MAPTBACE1THRBRXFP1MAPK1
SCHEMBL4137733 0.79 BACE1 (0.47) MAPTBACE1THRBRXFP1PTGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009817-A1 Substituted heteroaryls INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-13 US 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 1878/4885TP53 680/4885BACE1 1454/4885

“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.