SCHEMBL5887206

SCHEMBL5887206

Cc1nc(NCc2ccco2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCCC[N+](C)(C)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 5/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 6/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.35

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
Dimethylamine SCHEMBL5887416 0.88 TDP1 (0.41) ALDH1A1KMT2ASMN1; SMN2GAATDP1
SCHEMBL5887243 0.88 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2GAATDP1
SCHEMBL5886991 0.88 MAPK8 (0.38) ALDH1A1SMN1; SMN2GAAMAPK1TP53
SCHEMBL5887028 0.88 TDP1 (0.52) ALDH1A1KMT2ASMN1; SMN2GAATDP1
SCHEMBL5886880 0.86 MAPT (0.34) ALDH1A1KMT2AGAACYP1A2MAPT
SCHEMBL5887208 0.86 KMT2A (0.42) ALDH1A1KMT2ASMN1; SMN2GAATDP1
SCHEMBL5886801 0.85 MAPK8 (0.38) ALDH1A1KMT2ASMN1; SMN2GAAHPGD
SCHEMBL5886778 0.85 MAPT (0.44) ALDH1A1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL5886932 0.85 MAPT (0.46) ALDH1A1KMT2ASMN1; SMN2GAATDP1
SCHEMBL5886726 0.84 TDP1 (0.43) ALDH1A1KMT2ASMN1; SMN2GAATDP1

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 ALDH1A1 1860/4885KMT2A 1530/4885SMN1; SMN2 2219/4885

“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.