SCHEMBL214030

SCHEMBL214030

Cc1ccc(Br)cc1NC(=O)c1nc[nH]c1C(=O)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.60
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 4/20 0.50
TDP1 Q9NUW8 4/20 0.49
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL214767 0.92 KDM4E (0.55) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL214746 0.86 MAPT (0.74) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL213976 0.84 MAPT (0.71) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL215861 0.82 KMT2A (0.63) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL215229 0.82 MAPT (0.63) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL215825 0.82 MAPT (0.57) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL215162 0.81 KDM4E (0.52) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL215996 0.80 KDM4E (0.51) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL2759960 0.79 KDM4E (0.50) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL213701 0.79 MAPT (0.75) 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.