SCHEMBL3784775

SCHEMBL3784775

Nc1cccc(-c2ccc(C(F)(F)F)cc2N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
MAPK1 P28482 1/20 0.58
FEN1 P39748 1/20 0.48
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.45
MAOA P21397 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KIF11 P52732 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3786041 0.86 TSHR (0.58) TSHRMAPK1ALDH1A1PKMMAOA
SCHEMBL6011230 0.86 TSHR (0.58) TSHRMAPK1FEN1RORCRORB
SCHEMBL22636882 0.85 FEN1 (0.50) TSHRMAPK1FEN1ALDH1A1PKM
SCHEMBL29430685 0.85 FEN1 (0.50) TSHRMAPK1FEN1ALDH1A1PKM
SCHEMBL20557329 0.85 TSHR (0.56) TSHRMAPK1FEN1MAOARORC
SCHEMBL2964383 0.84 ALDH1A1 (0.53) TSHRMAPK1FEN1ALDH1A1PKM
SCHEMBL11421222 0.83 TSHR (0.55) TSHRMAPK1ALDH1A1PKMMAOA
SCHEMBL3788720 0.80 KIF11 (0.61) TSHRMAPK1FEN1ALDH1A1PKM
SCHEMBL3789224 0.80 TSHR (0.76) TSHRMAPK1PKMMAOARORC
SCHEMBL6011321 0.79 MAOA (0.54) ALDH1A1PKMMAOAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TSHR 1688/4885MAPK1 4726/4885FEN1 2139/4885

“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.