SCHEMBL3786346

SCHEMBL3786346

Nc1ccc(-c2c(N)cccc2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
HSD17B10 Q99714 1/20 0.38
FABP4 P15090 1/20 0.36
MAPK1 P28482 1/20 0.36
APP P05067 1/20 0.35
PDK2 Q15119 2/20 0.35
TRPA1 O75762 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 2/20 0.34
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3781200 0.86 FABP4 (0.47) KIF11POLBTDP1ALDH1A1HSD17B10
SCHEMBL28912661 0.83 BACE1 (0.41) KIF11TSHRPOLBGLAGAA
SCHEMBL3791729 0.81 TSHR (0.47) KIF11TSHRPOLBGLAGAA
SCHEMBL28877117 0.80 CYP3A4 (0.53) TSHRTDP1ALDH1A1CYP3A4TP53
SCHEMBL9778808 0.79 KIF11 (0.35) KIF11TDP1ALDH1A1CYP3A4TP53
SCHEMBL3791451 0.76 ALDH1A1 (0.46) TSHRPOLBGLAGAATDP1
SCHEMBL3784827 0.75 TAAR1 (0.45) KIF11TSHRTDP1ALDH1A1CYP3A4
SCHEMBL13385893 0.75 KIF11 (0.55) KIF11TSHRPOLBGLAGAA
SCHEMBL3793651 0.74 KIF11 (0.46) KIF11TSHRPOLBGLAGAA
SCHEMBL2787163 0.73 BACE1 (0.53) KIF11TSHRPOLBGLAGAA

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 KIF11 3999/4885TSHR 1688/4885POLB 2303/4885

“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.