SCHEMBL213700

SCHEMBL213700

Cc1cccc(NC(=O)c2c(C(N)=O)ncn2-c2cc(Br)ccc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.46
STAT3 P40763 1/20 0.44
LRRK2 Q5S007 1/20 0.42
KMT2A Q03164 9/20 0.41
MEN1 O00255 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 7/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 5/20 0.40
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ELANE P08246 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL215330 0.90 ALDH1A1 (0.46) LRRK2KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL213975 0.89 KMT2A (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL215824 0.89 RAB9A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL214245 0.85 NPC1 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL214574 0.85 RAB9A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL215228 0.85 SCN9A (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL214745 0.83 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL214029 0.80 MAPT (0.46) LRRK2KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL215407 0.79 MTOR (0.38) SORT1KMT2AMEN1KDM4ERAB9A
SCHEMBL213991 0.78 GABRG2 (0.31) SORT1

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 SORT1 3250/4885STAT3 6/4885LRRK2 644/4885

“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.