SCHEMBL5888902

SCHEMBL5888902

COCCNc1nc(C)c2ccc(=O)n(-c3ccc(C(=O)NCC[N+]4([O-])CCOCC4)cc3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MAPK8 P45983 6/20 0.36
MAPK9 P45984 3/20 0.36
MAPK10 P53779 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL5886858 0.88 MAPT (0.39) KMT2AMAPK8MAPTALDH1A1HPGD
SCHEMBL5886706 0.83 PIK3CA (0.35) KMT2AMAPK8MAPTALDH1A1MEN1
SCHEMBL5886739 0.81 USP25 (0.34) KMT2AMAPK8ALDH1A1HPGDMEN1
Dimethylamine SCHEMBL5887339 0.81 MAPK8 (0.45) KMT2AMAPK8MAPK9MAPK10MAPT
SCHEMBL5886760 0.81 L3MBTL1 (0.43) KMT2AMAPK8MAPK9MAPK10MAPT
SCHEMBL5887040 0.80 HTT (0.37) KMT2AMAPK8MEN1TSHRHSD17B10
SCHEMBL5887014 0.80 CDK5 (0.39) KMT2AMAPK8MAPK9MAPK10MAPT
SCHEMBL5886801 0.80 MAPK8 (0.38) KMT2AMAPK8MAPK9MAPK10MAPT
SCHEMBL5886736 0.80 MAPK8 (0.46) KMT2AMAPK8MAPK9MAPK10MAPT
SCHEMBL5886803 0.80 ALDH1A1 (0.41) KMT2AMAPK8MAPK9MAPK10MAPT

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 KMT2A 1530/4885MAPK8 770/4885MAPK9 640/4885

“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.