SCHEMBL214707

SCHEMBL214707

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTGFR P43088 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39
MAPK14 Q16539 1/20 0.38

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
SCHEMBL215860 0.87 MEN1 (0.38) GAANPC1RAB9ARXFP1PTGFR
SCHEMBL214245 0.83 NPC1 (0.41) GAAL3MBTL1NPC1RAB9AHSD17B10
SCHEMBL214517 0.81 RAB9A (0.37) GAANPC1RAB9AKDM4EHSD17B10
SCHEMBL213975 0.81 KMT2A (0.42) GAAL3MBTL1NPC1RAB9AKDM4E
SCHEMBL215824 0.81 RAB9A (0.41) GAANPC1RAB9AKDM4ERXFP1
SCHEMBL215228 0.79 SCN9A (0.44) GAAL3MBTL1NPC1RAB9AKDM4E
SCHEMBL213700 0.78 SORT1 (0.46) GAAL3MBTL1NPC1RAB9AKDM4E
SCHEMBL215845 0.78 IRAK4 (0.39) GAAL3MBTL1NPC1RAB9AKDM4E
SCHEMBL214745 0.78 KMT2A (0.41) GAANPC1RAB9AHSD17B10RXFP1
SCHEMBL214574 0.78 RAB9A (0.41) NPC1RAB9AKDM4EHSD17B10RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 GAA 2375/4885L3MBTL1 3660/4885TSHR 2231/4885

“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.