SCHEMBL2138359

SCHEMBL2138359

NNc1nc2ccc(C(F)(F)F)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
SCN4A P35499 1/20 0.44
BACE1 P56817 1/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CSNK1D P48730 1/20 0.39
CSNK1G2 P78368 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
PIK3CA P42336 1/20 0.39
C1R P00736 2/20 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
SCHEMBL14131 0.78 PIK3CG (0.56) EPHX2SCN4ABACE1PIM1PIM2
SCHEMBL21066365 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1POLBMAPT
SCHEMBL19914273 0.76 ALDH1A1 (0.56) EPHX2SCN4ABACE1PIM1PIM2
SCHEMBL19914314 0.76 MAPT (0.43) ALDH1A1KDM4EMEN1POLBMAPT
SCHEMBL19914359 0.76 NPBWR1 (0.41) EPHX2BACE1ALDH1A1KDM4EMEN1
SCHEMBL24176372 0.75 CSNK1D (0.44) EPHX2ALDH1A1KDM4EMEN1POLB
SCHEMBL18755165 0.75 BACE1 (0.42) EPHX2SCN4ABACE1PIM1PIM2
SCHEMBL2135773 0.75 PIK3CG (0.61) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL2134640 0.75 MAPT (0.54) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL12805011 0.75 BACE1 (0.42) EPHX2SCN4ABACE1PIM1PIM2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP 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 (3 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR EPHX2 710/4885SCN4A 3960/4885BACE1 611/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR EPHX2 710/4885SCN4A 3960/4885BACE1 611/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR EPHX2 710/4885SCN4A 3960/4885BACE1 611/4885

“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.