SCHEMBL213975

SCHEMBL213975

Cc1ccc(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 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PTGFR P43088 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 6/20 0.37
TP53 P04637 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL215860 0.92 MEN1 (0.38) KMT2AMEN1ALDH1A1POLBRXFP1
SCHEMBL215228 0.92 SCN9A (0.44) KMT2AMEN1ALDH1A1POLBRXFP1
SCHEMBL215824 0.92 RAB9A (0.41) KMT2AMEN1ALDH1A1POLBRXFP1
SCHEMBL214745 0.90 KMT2A (0.41) KMT2AMEN1ALDH1A1RXFP1SMN1; SMN2
SCHEMBL213700 0.89 SORT1 (0.46) KMT2AMEN1ALDH1A1RXFP1KDM4E
SCHEMBL214574 0.88 RAB9A (0.41) KMT2AMEN1ALDH1A1POLBRXFP1
SCHEMBL214245 0.88 NPC1 (0.41) KMT2AMEN1ALDH1A1POLBPTGFR
SCHEMBL215330 0.85 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL214029 0.84 MAPT (0.46) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL214766 0.84 KDM1A (0.42) KMT2AMEN1ALDH1A1KDM4ESMN1; 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 3504/4885ALDH1A1 4295/4885

“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.