SCHEMBL5886873

SCHEMBL5886873

Cc1nc(N2CCNCC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccco2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
CYP1A2 P05177 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
JAK2 O60674 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
SCHEMBL5886973 0.93 HPGD (0.50) HPGDCYP1A2TDP1ALDH1A1HSD17B10
SCHEMBL5886810 0.90 ALDH1A1 (0.47) HPGDCYP1A2TDP1ALDH1A1HSD17B10
SCHEMBL5887167 0.90 HPGD (0.46) HPGDCYP1A2TDP1ALDH1A1HSD17B10
SCHEMBL5887157 0.89 KMT2A (0.49) HPGDCYP1A2TDP1ALDH1A1HSD17B10
SCHEMBL5886909 0.87 ALDH1A1 (0.47) HPGDCYP1A2TDP1ALDH1A1HSD17B10
SCHEMBL5886857 0.87 MAPT (0.45) HPGDCYP1A2ALDH1A1HSD17B10KMT2A
SCHEMBL5886898 0.86 HPGD (0.45) HPGDCYP1A2TDP1ALDH1A1HSD17B10
SCHEMBL5887028 0.84 TDP1 (0.52) HPGDCYP1A2TDP1ALDH1A1HSD17B10
SCHEMBL5886897 0.83 USP28 (0.40) HPGDCYP1A2ALDH1A1HSD17B10CYP2D6
SCHEMBL5887213 0.83 HPGD (0.45) HPGDCYP1A2TDP1ALDH1A1HSD17B10

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 HPGD 1371/4885CYP1A2 3347/4885TDP1 17/4885

“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.