SCHEMBL5886729

SCHEMBL5886729

Cc1nc(N2CCc3ccccc3C2)nc2c1ccc(=O)n2-c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
ADAMTS4 O75173 4/20 0.36
USP30 Q70CQ3 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 1/20 0.35
RXRA P19793 1/20 0.34
CETP P11597 1/20 0.34
SRD5A1 P18405 1/20 0.34
SCN9A Q15858 1/20 0.34
IP6K1 Q92551 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL5886722 0.87 RXRA (0.46) ALDH1A1ADAMTS4CYP2C9CYP2C19RXRA
SCHEMBL5887072 0.87 ALDH1A1 (0.40) ALDH1A1ADAMTS4RXRACETPSCN9A
SCHEMBL5887156 0.86 ADAMTS4 (0.43) ALDH1A1ADAMTS4RXRACETPSCN9A
SCHEMBL5886809 0.86 ALDH1A1 (0.41) ALDH1A1HPGDRXRACYP1A2
SCHEMBL5887125 0.84 RAB9A (0.42) ALDH1A1CYP1A2
SCHEMBL5886740 0.82 NOD1 (0.53) ALDH1A1KDM4E
SCHEMBL5887343 0.82 PRMT5 (0.43) ALDH1A1ADAMTS4KDM4E
SCHEMBL5887057 0.82 DRD2 (0.41) ADAMTS4USP30SCN9A
SCHEMBL5887121 0.82 GPR119 (0.41) ALDH1A1KDM4E
SCHEMBL5886717 0.81 MEN1 (0.40) ALDH1A1HPGDKDM4E

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
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
US-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors PHARMACIA ITALIA S.P.A. 2004-01-15 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 ALDH1A1 1860/4885ADAMTS4 2688/4885USP30 2245/4885

“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.