SCHEMBL215331

SCHEMBL215331

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
MAPT P10636 7/20 0.59
KDM4E B2RXH2 7/20 0.59
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NTSR1 P30989 1/20 0.58
GAA P10253 3/20 0.50
MAPK1 P28482 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 2/20 0.48
MAPK10 P53779 1/20 0.48
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
BRAF P15056 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL213701 0.90 MAPT (0.75) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL215229 0.89 MAPT (0.63) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL214575 0.87 MAPT (0.53) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL215825 0.86 MAPT (0.57) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL214246 0.85 MAPT (0.53) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL213976 0.84 MAPT (0.71) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL215861 0.82 KMT2A (0.63) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL214746 0.81 MAPT (0.74) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL14222316 0.81 GAA (0.54) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL215408 0.80 GAA (0.49) ALDH1A1MAPTKDM4EKMT2AMEN1

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 8 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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
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
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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 ALDH1A1 4295/4885MAPT 2138/4885KDM4E 952/4885

“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.