SCHEMBL1092809

SCHEMBL1092809

O=C(Nc1cnc2c(c1)nc1n2CCC1)c1cc2ccc(F)cc2n1Cc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
MAOB P27338 1/20 0.39
CCR2 P41597 1/20 0.38
APP P05067 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
NPC1 O15118 4/20 0.37
LMNA P02545 1/20 0.37
ACHE P22303 2/20 0.37
PPARG P37231 1/20 0.37
BCHE P06276 1/20 0.37
HTR2C P28335 1/20 0.36
MCHR1 Q99705 1/20 0.36
SCD O00767 2/20 0.36
SCD5 Q86SK9 2/20 0.36
BACE1 P56817 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1093713 0.95 CCR9 (0.41) RAB9AMAOBCCR2APPNPC1
SCHEMBL1093468 0.95 RAB9A (0.39) RAB9AMAOBAPPPTGDR2NPC1
SCHEMBL1093087 0.94 PPARG (0.43) RAB9AMAOBPTGDR2PPARG
SCHEMBL1093424 0.94 PPARG (0.42) RAB9ACCR2PPARG
SCHEMBL1093470 0.94 NPC1 (0.43) RAB9AMAOBAPPPTGDR2NPC1
SCHEMBL1093742 0.94 RAB9A (0.41) RAB9AMAOBCCR2APPNPC1
SCHEMBL1093744 0.93 RAB9A (0.38) RAB9AMAOBAPPPTGDR2NPC1
SCHEMBL1092532 0.93 CCR9 (0.40) RAB9AMAOBAPPPTGDR2NPC1
SCHEMBL1094000 0.93 RAB9A (0.38) RAB9AMAOBAPPPTGDR2NPC1
SCHEMBL1094241 0.91 ABCB1 (0.44) RAB9AMAOBCCR2APPNPC1

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
EP-2185558-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF SAME SANOFI SA (FR) 2014-06-18 EP disclosed
US-8420817-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-04-16 US disclosed
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-28 US disclosed
US-8153796-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-08 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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 RAB9A 2582/4885MAOB 59/4885CCR2 1154/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 RAB9A 2582/4885MAOB 59/4885CCR2 1154/4885

“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.