SCHEMBL833860

SCHEMBL833860

O=C(Nc1ccc2c(c1)nc1n2CCC1)c1cc2nc(C(F)(F)F)ccc2n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
MAPK1 P28482 5/20 0.47
USP2 O75604 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 4/20 0.47
TP53 P04637 5/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HSD17B10 Q99714 4/20 0.46
ACHE P22303 3/20 0.46
APP P05067 2/20 0.46
BACE1 P56817 1/20 0.46
ESR1 P03372 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL830309 0.93 MAPK1 (0.46) ALDH1A1MAPTMAPK1USP2KDM4E
SCHEMBL832947 0.84 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1USP2KDM4E
SCHEMBL832460 0.83 MAPT (0.45) ALDH1A1MAPTMAPK1USP2KDM4E
SCHEMBL832608 0.81 TP53 (0.47) ALDH1A1MAPTMAPK1USP2KDM4E
SCHEMBL830392 0.81 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1USP2KDM4E
SCHEMBL831297 0.80 MAPT (0.46) ALDH1A1MAPTMAPK1USP2KDM4E
SCHEMBL1100072 0.80 DGAT1 (0.46) MAPTKDM4ESMN1; SMN2POLB
SCHEMBL832945 0.80 ROCK1 (0.38) ALDH1A1MAPTMAPK1USP2KDM4E
SCHEMBL833715 0.79 RAB9A (0.47) ALDH1A1MAPTMAPK1USP2KDM4E
SCHEMBL831742 0.78 TP53 (0.51) ALDH1A1MAPTMAPK1USP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
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
EP-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP 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 (2 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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 ALDH1A1 453/4885MAPT 3000/4885MAPK1 4560/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS ALDH1A1 484/4885MAPT 3347/4885MAPK1 4651/4885

“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.