SCHEMBL3789296

SCHEMBL3789296

Nc1ccc(C(F)(F)F)c(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
GLA P06280 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
KIF11 P52732 1/20 0.46
PDK2 Q15119 1/20 0.42
MAOA P21397 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BACE1 P56817 2/20 0.40
MAPK1 P28482 1/20 0.39
DPP4 P27487 1/20 0.39
HSD11B1 P28845 1/20 0.39
NPC1 O15118 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39

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
SCHEMBL3784686 0.88 KIF11 (0.58) TSHRGLAPOLBGAAKIF11
SCHEMBL672246 0.87 TSHR (0.52) TSHRGLAPOLBGAAKIF11
SCHEMBL1926441 0.85 TSHR (0.70) TSHRGLAPOLBGAAKIF11
SCHEMBL2808894 0.83 TSHR (0.67) TSHRGLAPOLBGAAKIF11
SCHEMBL27974154 0.79 GLA (0.47) TSHRGLAPOLBGAAKIF11
SCHEMBL3787576 0.79 TSHR (0.52) TSHRGLAPOLBGAAKIF11
SCHEMBL28381351 0.79 TSHR (0.56) TSHRGLAPOLBGAAKIF11
SCHEMBL2300881 0.78 KIF11 (0.54) TSHRKIF11PTGDR2CYP3A4BACE1
SCHEMBL21496766 0.78 ACHE (0.46) TSHRGLAPOLBGAAKIF11
SCHEMBL22606814 0.78 TSHR (0.65) TSHRGLAPOLBGAAKIF11

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-20250206759-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2025-06-26 US disclosed
EP-4509507-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND Chengdu Hyperway Pharmaceuticals Co., Ltd. (CN) 2025-02-19 EP disclosed
CN-119306730-A Cyclic ether modified 3-cyano-4-arylaminoquinoline derivative as well as preparation method and application thereof 河北医科大学 2025-01-14 CN disclosed
WO-2023197984-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND 成都海博为药业有限公司 2023-10-19 WO disclosed
CN-116891488-A Condensed-cyclic compound, pharmaceutical composition containing condensed-cyclic compound and application of condensed-cyclic compound 成都海博为药业有限公司 2023-10-17 CN disclosed
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 (2 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 1688/4885GLA 2514/4885POLB 2303/4885
US-20250206759-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND KRAS, NRAS, HRAS TSHR 3128/4885GLA 2814/4885POLB 972/4885

“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.