SCHEMBL215229

SCHEMBL215229

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
KDM4E B2RXH2 8/20 0.63
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NTSR1 P30989 1/20 0.53
GAA P10253 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.51
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL213976 0.91 MAPT (0.71) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL214575 0.90 MAPT (0.53) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL215861 0.89 KMT2A (0.63) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL14222705 0.89 MAPT (0.67) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL215825 0.89 MAPT (0.57) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL215331 0.89 ALDH1A1 (0.61) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL214246 0.88 MAPT (0.53) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL214746 0.88 MAPT (0.74) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL213701 0.84 MAPT (0.75) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL14222316 0.83 GAA (0.54) MAPTKDM4EALDH1A1KMT2ASMN1; 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 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 MAPT 2138/4885KDM4E 952/4885ALDH1A1 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.