SCHEMBL5886798

SCHEMBL5886798

Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 8/20 0.43
HPGD P15428 5/20 0.43
TSHR P16473 4/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 5/20 0.43
CYP1A2 P05177 4/20 0.43
CASP1 P29466 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CASP7 P55210 2/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND2 P30279 1/20 0.42
CCND3 P30281 1/20 0.42
USP2 O75604 3/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL5886830 0.92 ALDH1A1 (0.42) RXRAALDH1A1HPGDTSHRHTT
SCHEMBL5886930 0.92 MEN1 (0.44) RXRAMAPK1ALDH1A1HPGDTSHR
SCHEMBL5887084 0.92 ALDH1A1 (0.42) RXRAALDH1A1HPGDTSHRHTT
SCHEMBL5886774 0.91 NPC1 (0.46) RXRAMAPK1ALDH1A1HPGDTSHR
SCHEMBL5886849 0.88 KDM4E (0.43) RXRAMAPK1ALDH1A1HPGDTSHR
SCHEMBL5886809 0.87 ALDH1A1 (0.41) RXRAALDH1A1HPGDTSHRHTT
SCHEMBL5887542 0.86 MAPK8 (0.45) ALDH1A1HPGDTSHRHTTMAPT
SCHEMBL5886891 0.86 TP53 (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL5886722 0.85 RXRA (0.46) RXRAMAPK1ALDH1A1HTTMAPT
SCHEMBL5887525 0.83 NPC1 (0.46) ALDH1A1MAPTKMT2AHSD17B10SMN1; SMN2

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.