SCHEMBL1092987

SCHEMBL1092987

O=C(Nc1cnc2c(c1)nc1n2CCC1)c1cc2cc(F)cnc2n1Cc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
APP P05067 2/20 0.39
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
NPC1 O15118 4/20 0.37
LMNA P02545 1/20 0.37
CNR1 P21554 1/20 0.36
SCD O00767 3/20 0.36
SCD5 Q86SK9 3/20 0.36
BACE1 P56817 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
ACKR3 P25106 1/20 0.36
FSCN1 Q16658 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL1093248 0.92 RAB9A (0.39) RAB9AAPPACHEBCHENPC1
SCHEMBL1093742 0.92 RAB9A (0.41) RAB9AAPPACHEBCHENPC1
SCHEMBL1092809 0.90 RAB9A (0.41) RAB9AAPPACHEBCHENPC1
SCHEMBL1093087 0.90 PPARG (0.43) RAB9AMAOB
SCHEMBL1094034 0.89 RAB9A (0.40) RAB9AAPPACHEBCHENPC1
SCHEMBL1093347 0.88 RAB9A (0.38) RAB9AAPPACHEBCHENPC1
SCHEMBL1094241 0.88 ABCB1 (0.44) RAB9AAPPNPC1LMNAKMT2A
SCHEMBL1093713 0.87 CCR9 (0.41) RAB9AAPPNPC1LMNAKMT2A
SCHEMBL1093468 0.87 RAB9A (0.39) RAB9AAPPNPC1MAPK1KMT2A
SCHEMBL1093550 0.87 RAB9A (0.41) RAB9AAPPACHEBCHENPC1

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 2582/4885APP 3045/4885ACHE 495/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 RAB9A 2582/4885APP 3045/4885ACHE 495/4885

“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.