SCHEMBL5887040

SCHEMBL5887040

Cc1nc(N2CCN(c3ncccn3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCC[N+]2([O-])CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGDS O60760 3/20 0.36
MAPK8 P45983 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5886706 0.92 PIK3CA (0.35) HTTHPGDSMAPK8RAB9ATSHR
SCHEMBL5886739 0.90 USP25 (0.34) MAPK8TSHRMEN1CYP3A4CYP2C19
SCHEMBL5888748 0.87 HDAC6 (0.38) HTTHPGDSMAPK8
Dimethylamine SCHEMBL5887374 0.82 KDM4E (0.41) HTTKDM4EMAPK8NPC1RAB9A
SCHEMBL5886808 0.82 KDM4E (0.45) HTTKDM4ENPC1RAB9ATSHR
SCHEMBL5887435 0.82 L3MBTL1 (0.41) HTTKDM4ENPC1RAB9AL3MBTL1
SCHEMBL5886863 0.82 KDM4E (0.39) HTTKDM4ENPC1RAB9AMEN1
SCHEMBL5887025 0.81 NPC1 (0.40) HTTKDM4ENPC1RAB9AMEN1
SCHEMBL5888902 0.80 KMT2A (0.37) MAPK8NPC1RAB9ATSHRMEN1
SCHEMBL5886707 0.80 ALDH1A1 (0.46) HTTKDM4ERAB9A

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 HTT 1319/4885KDM4E 840/4885HPGDS 1139/4885

“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.