SCHEMBL830309

SCHEMBL830309

O=C(Nc1ccc2c(c1)nc1n2CCC1)c1cc2nc(C(F)(F)F)ccc2n1Cc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 6/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
USP2 O75604 3/20 0.41
HTT P42858 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
TP53 P04637 7/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.39
KDM1A O60341 1/20 0.39
ESR1 P03372 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
SCHEMBL833860 0.93 ALDH1A1 (0.47) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL832828 0.85 APP (0.44) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL831540 0.83 LMNA (0.45) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL831020 0.81 MAPT (0.41) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL832947 0.79 ALDH1A1 (0.41) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL832460 0.76 MAPT (0.45) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL3113563 0.75 CCR9 (0.52) MEN1KMT2A
SCHEMBL833715 0.75 RAB9A (0.47) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL830392 0.75 ALDH1A1 (0.48) MAPK1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL832945 0.74 ROCK1 (0.38) MAPK1MAPTALDH1A1KDM4EUSP2

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 MAPK1 4560/4885SMN1; SMN2 3560/4885LMNA 2690/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS MAPK1 4651/4885SMN1; SMN2 3750/4885LMNA 2463/4885

“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.