SCHEMBL5886780

SCHEMBL5886780

C=CCNc1nc(C)c2ccc(=O)n(-c3ccc(C(=O)NCc4ccco4)cc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 4/20 0.43
TP53 P04637 5/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL5887028 0.92 TDP1 (0.52) TDP1ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL5886764 0.88 TDP1 (0.47) TDP1ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL5886708 0.88 TP53 (0.48) TDP1ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL5886812 0.87 TDP1 (0.47) TDP1ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL5887012 0.87 MAPT (0.43) ALDH1A1HPGDMAPK1TP53SMN1; SMN2
SCHEMBL5886925 0.87 TDP1 (0.46) TDP1ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL5886705 0.87 HPGD (0.48) TDP1ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL5887092 0.86 MAPT (0.46) TDP1ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL5886814 0.86 TDP1 (0.44) TDP1ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL5886726 0.85 TDP1 (0.43) TDP1ALDH1A1HPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 US claimed
US-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors PHARMACIA ITALIA S.P.A. 2004-01-15 US claimed
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 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-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors TERT, TERF2, TERF2IP TDP1 17/4885ALDH1A1 1860/4885HPGD 1371/4885

“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.