SCHEMBL5886774

SCHEMBL5886774

Cc1nc(N2CCN(c3ncccn3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RXRA P19793 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
PABPC1 P11940 1/20 0.43
MAPK1 P28482 2/20 0.41
SLC6A7 Q99884 7/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 3/20 0.40
CASP1 P29466 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.39
USP2 O75604 2/20 0.39
CASP7 P55210 2/20 0.39
MAPT P10636 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
METAP1 P53582 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL5886849 0.91 KDM4E (0.43) NPC1RAB9ARXRAKMT2AMEN1
SCHEMBL5886870 0.91 NPC1 (0.46) NPC1RAB9AKMT2AMAPK1SLC6A7
SCHEMBL5886798 0.91 RXRA (0.47) NPC1RAB9ARXRAKMT2APOLB
SCHEMBL5886930 0.87 MEN1 (0.44) NPC1RAB9ARXRAKMT2AMEN1
SCHEMBL5887125 0.86 RAB9A (0.42) NPC1RAB9AKMT2AMAPK1SLC6A7
SCHEMBL5886718 0.86 CCNE1 (0.45) NPC1RAB9AKMT2AMEN1
SCHEMBL5886707 0.85 ALDH1A1 (0.46) RAB9APOLBMAPK1SLC6A7ALDH1A1
SCHEMBL5887025 0.84 NPC1 (0.40) NPC1RAB9AKMT2AMEN1SLC6A7
SCHEMBL5886808 0.84 KDM4E (0.45) NPC1RAB9AALDH1A1TSHRMAPT
SCHEMBL5886843 0.82 KDM4E (0.43) KMT2AMEN1POLBMAPK1SLC6A7

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 4 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
US-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors PHARMACIA ITALIA S.P.A. 2004-01-15 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 NPC1 4067/4885RAB9A 3217/4885RXRA 3986/4885

“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.