SCHEMBL3784479

SCHEMBL3784479

Nc1cccc(-c2ccc(C(F)(F)F)c(N)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
MAOA P21397 1/20 0.50
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
MAP4K4 O95819 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.42
AXL P30530 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CCNE2 O96020 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
SCHEMBL8174858 0.86 KIF11 (0.61) KIF11TSHRGLAPOLBGAA
SCHEMBL3792886 0.85 MAOA (0.50) KIF11MAOATSHRMAPK1MAP4K4
SCHEMBL31570062 0.85 KIF11 (0.57) KIF11MAOAGAAMEN1CYP11B2
SCHEMBL3785824 0.85 KIF11 (0.57) KIF11MAOAGAAMEN1CYP11B2
SCHEMBL3784954 0.82 KIF11 (0.69) KIF11TSHRGLAPOLBGAA
SCHEMBL11199047 0.82 MAOA (0.47) KIF11MAOATSHRMAPK1MAP4K4
SCHEMBL8922815 0.79 KIF11 (0.54) KIF11TSHRGLAPOLBGAA
SCHEMBL3791729 0.78 TSHR (0.47) KIF11MAOATSHRMAPK1MAP4K4
SCHEMBL672246 0.78 TSHR (0.52) KIF11MAOATSHRMAPK1MAP4K4
SCHEMBL29460325 0.78 TSHR (0.60) KIF11TSHRMAPK1CA12CA1

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 3999/4885MAOA 348/4885TSHR 1688/4885

“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.