SCHEMBL5886880

SCHEMBL5886880

Cc1nc(NCCN)nc2c1ccc(=O)n2-c1ccc(C(=O)NCCC[N+](C)(C)[O-])cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK8 P45983 4/20 0.33
MAPK9 P45984 3/20 0.33
MAPK10 P53779 3/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 2/20 0.31
TERT O14746 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HDAC3 O15379 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL5886801 0.91 MAPK8 (0.38) MAPTRAB9AMAPK8MAPK9MAPK10
SCHEMBL5886778 0.91 MAPT (0.44) MAPTRAB9AMAPK8MAPK9MAPK10
SCHEMBL5886991 0.88 MAPK8 (0.38) MAPTMAPK8MAPK9MAPK10GAA
SCHEMBL5887172 0.87 L3MBTL1 (0.44) MAPTRAB9AGAARXFP1HDAC3
Dimethylamine SCHEMBL5887112 0.87 MAPK8 (0.39) MAPTRAB9AMAPK8MAPK9MAPK10
SCHEMBL5887206 0.86 ALDH1A1 (0.40) MAPTGAARXFP1CYP1A2MEN1
SCHEMBL5886886 0.85 MAPK8 (0.36) MAPTRAB9AMAPK8MAPK9MAPK10
SCHEMBL5886874 0.85 MAPT (0.41) MAPTRAB9AMAPK8MAPK9MAPK10
SCHEMBL5886945 0.84 TP53 (0.36) MAPTRAB9AGAATSHRRXFP1
SCHEMBL5887279 0.83 MLYCD (0.35) MAPTRAB9AMAPK8MAPK9MAPK10

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 MAPT 1614/4885RAB9A 3217/4885MAPK8 770/4885

“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.