SCHEMBL214745

SCHEMBL214745

COc1ccc(NC(=O)c2c(C(N)=O)ncn2-c2cc(Br)ccc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 8/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
SIK1 P57059 1/20 0.39
SIK2 Q9H0K1 1/20 0.39
SIK3 Q9Y2K2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN9A Q15858 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
PKM P14618 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
SCHEMBL213975 0.90 KMT2A (0.42) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL215860 0.88 MEN1 (0.38) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL215228 0.88 SCN9A (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL215824 0.88 RAB9A (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL214029 0.86 MAPT (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL214766 0.86 KDM1A (0.42) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL214245 0.84 NPC1 (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL214574 0.84 RAB9A (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL213700 0.83 SORT1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL215161 0.83 KDM1A (0.39) NPC1RAB9ASMN1; SMN2

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 KMT2A 437/4885MEN1 3504/4885NPC1 3307/4885

“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.