SCHEMBL5886897

SCHEMBL5886897

Cc1nc(N2CCNCC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCC(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 5/20 0.40
USP25 Q9UHP3 3/20 0.40
PLAT P00750 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
CYP2C9 P11712 1/20 0.38
CTSK P43235 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
CTNNB1 P35222 2/20 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
SCHEMBL5886868 0.92 CNR2 (0.41) ALDH1A1HSD17B10HPGDCNR2HDAC3
SCHEMBL5887025 0.89 NPC1 (0.40) ALDH1A1HPGDCTNNB1TCF7L2HDAC3
SCHEMBL5886857 0.86 MAPT (0.45) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL5887044 0.85 L3MBTL1 (0.42) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL5886885 0.84 MMP13 (0.41) ALDH1A1CYP1A2CASP1CASP7HSD17B10
SCHEMBL5886860 0.84 USP25 (0.46) USP28USP25ALDH1A1CYP1A2CASP1
SCHEMBL5887343 0.84 PRMT5 (0.43) ALDH1A1
SCHEMBL5887102 0.84 ALDH1A1 (0.40) USP28USP25ALDH1A1CYP1A2CASP1
SCHEMBL5886873 0.83 HPGD (0.46) ALDH1A1CYP1A2HSD17B10HPGDCYP2C9
SCHEMBL5887047 0.82 HPGD (0.54) ALDH1A1HSD17B10HPGDCYP2C9

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 USP28 1886/4885USP25 2286/4885PLAT 460/4885

“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.