SCHEMBL5886841

SCHEMBL5886841

C=CCNc1nc(C)c2ccc(=O)n(-c3ccc(C(=O)NCCc4ccccc4)cc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
NPC1 O15118 5/20 0.43
MAPT P10636 6/20 0.43
TP53 P04637 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 3/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL5887012 0.91 MAPT (0.43) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL5886935 0.90 RAB9A (0.47) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL5886727 0.89 RAB9A (0.46) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL5887247 0.88 RAB9A (0.45) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL5886725 0.87 RAB9A (0.45) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL5886736 0.87 MAPK8 (0.46) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL5886788 0.87 RAB9A (0.43) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL5887122 0.85 L3MBTL1 (0.43) RAB9AMAPTTP53SMN1; SMN2GAA
SCHEMBL5886932 0.85 MAPT (0.46) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL5886984 0.84 RAB9A (0.36) RAB9ANPC1MAPTSMN1; SMN2GAA

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 RAB9A 3217/4885NPC1 4067/4885MAPT 1614/4885

“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.