SCHEMBL840563

SCHEMBL840563

Cn1c(C(=O)Nc2ccc3c(c2)nc2n3CCC2)cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.49
NPC1 O15118 4/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 4/20 0.49
USP2 O75604 4/20 0.49
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 2/20 0.49
GRM4 Q14833 1/20 0.49
MEN1 O00255 1/20 0.49
IMPDH2 P12268 1/20 0.48
ROCK1 Q13464 2/20 0.47
APP P05067 3/20 0.46
LMNA P02545 3/20 0.46
GFER P55789 1/20 0.46
THRB P10828 1/20 0.46
KDM1A O60341 1/20 0.46

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
SCHEMBL840177 0.88 APP (0.49) TP53NPC1MAPTRAB9AUSP2
SCHEMBL14800259 0.78 MAPT (0.53) TP53NPC1MAPTRAB9AUSP2
SCHEMBL830392 0.76 ALDH1A1 (0.48) TP53NPC1MAPTRAB9AUSP2
SCHEMBL15033471 0.75 TP53 (0.73) TP53NPC1MAPTRAB9AUSP2
SCHEMBL3879676 0.75 GRM4 (0.64) NPC1MAPTRAB9AKMT2AGRM4
SCHEMBL14800043 0.74 TP53 (0.57) TP53NPC1MAPTRAB9AUSP2
SCHEMBL831742 0.74 TP53 (0.51) TP53NPC1MAPTRAB9AUSP2
SCHEMBL6017856 0.73 MCL1 (0.66) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL832026 0.73 TP53 (0.44) TP53NPC1MAPTRAB9AUSP2
SCHEMBL831297 0.73 MAPT (0.46) TP53NPC1MAPTRAB9AUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 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-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS TP53 3752/4885NPC1 390/4885MAPT 3347/4885

“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.