SCHEMBL5886722

SCHEMBL5886722

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADAMTS4 O75173 4/20 0.40
AKR1C3 P42330 1/20 0.38
CETP P11597 1/20 0.37
SCN9A Q15858 1/20 0.37
IP6K1 Q92551 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTPN11 Q06124 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5887072 0.91 ALDH1A1 (0.40) RXRAMAPK1ALDH1A1ADAMTS4CETP
SCHEMBL5887156 0.91 ADAMTS4 (0.43) RXRAALDH1A1ADAMTS4AKR1C3CETP
SCHEMBL5886729 0.87 ALDH1A1 (0.37) RXRAALDH1A1ADAMTS4CETPSCN9A
SCHEMBL5886750 0.87 ADAMTS4 (0.45) ALDH1A1ADAMTS4MAPT
SCHEMBL5887057 0.87 DRD2 (0.41) ADAMTS4SCN9AMAPT
SCHEMBL5887024 0.86 MAPT (0.44) ALDH1A1ADAMTS4KDM4EHTTMAPT
SCHEMBL5887343 0.85 PRMT5 (0.43) ALDH1A1ADAMTS4KDM4EMAPT
SCHEMBL5886798 0.85 RXRA (0.47) RXRAMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL5886716 0.84 SMN1; SMN2 (0.41) MAPK1ALDH1A1CYP1A2CYP2C19
SCHEMBL5887054 0.83 HDAC6 (0.46) ALDH1A1ADAMTS4CYP1A2HTTMAPT

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 RXRA 3986/4885MAPK1 855/4885ALDH1A1 1860/4885

“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.