SCHEMBL31414495

SCHEMBL31414495

COc1ncc(I)c(N)c1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ MAPT P10636 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ PIK3CA P42336 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ALOX5AP P20292 2/20 0.31
▸ FEN1 P39748 2/20 0.31
▸ P2RX3 P56373 3/20 0.30
▸ P2RX2 Q9UBL9 3/20 0.30

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
SCHEMBL26604960 1.00 AURKA (0.38) AURKATTKAURKBINCENPMAPT
SCHEMBL2790586 0.77 MAPT (0.35) AURKATTKAURKBINCENPMAPT
SCHEMBL20702438 0.77 MAPT (0.35) AURKATTKAURKBINCENPMAPT
SCHEMBL21246893 0.77 AURKA (0.38) AURKATTKAURKBINCENPMAPT
SCHEMBL31046685 0.74 AURKA (0.44) AURKATTKAURKBINCENPMAPT
SCHEMBL30645955 0.73 — —
SCHEMBL25230769 0.72 AURKA (0.33) AURKATTKAURKBINCENPMAPT
SCHEMBL31015914 0.72 AURKA (0.33) AURKATTKAURKBINCENPMAPT
SCHEMBL19783681 0.71 AURKA (0.42) AURKATTKAURKBINCENPMAPT
SCHEMBL16923272 0.69 — —

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-20260116891-A1 Oxazepin Derivative TEIJIN PHARMA LTD (JP) 2026-04-30 — — US disclosed
EP-4512811-A1 OXAZEPINE DERIVATIVE Teijin Pharma Limited (JP) 2025-02-26 — — 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-20260116891-A1 Oxazepin Derivative HCRTR2, HCRTR1, OXTR AURKA 3190/4885TTK 3957/4885AURKB 3848/4885

“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.

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