SCHEMBL21945512

SCHEMBL21945512

Oc1cc(OC(F)(F)F)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.55
▸ TPX2 Q9ULW0 1/20 0.55
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ ABL1 P00519 4/20 0.41
▸ ABCB1 P08183 4/20 0.41
▸ BCR P11274 4/20 0.41
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ GPR3 P46089 1/20 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
SCHEMBL21944789 0.89 AURKA (0.67) AURKATPX2NPC1TP53MAPK1
SCHEMBL21944998 0.85 AURKA (0.54) AURKATPX2NPC1TP53MAPK1
SCHEMBL1690017 0.82 AURKA (0.71) AURKATPX2NPC1TP53MAPK1
SCHEMBL12952736 0.82 AURKA (0.71) AURKATPX2NPC1TP53MAPK1
SCHEMBL26070056 0.80 AKR1C2 (0.46) AURKATPX2AKR1C2AKR1C1ABL1
SCHEMBL21944570 0.79 AURKA (0.48) AURKATPX2ABL1ABCB1BCR
SCHEMBL21944866 0.77 AURKA (0.45) AURKATPX2AKR1C2AKR1C1PTGS1
SCHEMBL7938385 0.77 KIF11 (0.50) AURKATPX2SMN1; SMN2TRPA1GPR3
SCHEMBL24445859 0.77 AURKA (0.44) AURKATPX2AKR1C2AKR1C1GPR3
SCHEMBL816836 0.77 AURKA (0.44) AURKATPX2RAB9AAKR1C2AKR1C1

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 AURKA 1234/4885TPX2 2721/4885NPC1 1062/4885

“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.

Send feedback