SCHEMBL16896880

SCHEMBL16896880

COc1cc(N(Cc2ccccn2)C(C)=O)c(C)cc1-c1ccc(O)nc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 11/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ INCENP Q9NQS7 2/20 0.43
▸ CHRNA7 P36544 4/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ TSPO P30536 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL16896777 0.69 GRIN1 (0.44) SYKAURKBINCENP
SCHEMBL16140968 0.68 BRD4 (0.55) —
SCHEMBL26414527 0.65 SYK (0.54) SYKAURKBINCENPCHRNA7KDM4E
SCHEMBL18317400 0.65 SYK (0.39) SYKAURKBINCENPCHRNA7ROCK2
SCHEMBL18317398 0.65 SYK (0.39) SYKAURKBINCENP
SCHEMBL27718450 0.65 KCNA5 (0.47) TSPOTSHRKDM4EALDH1A1TDP1
SCHEMBL28272598 0.64 TRPM8 (0.51) SYKTSPOTSHRALDH1A1TDP1
SCHEMBL5826160 0.64 SRC (0.52) —
SCHEMBL19475076 0.64 SYK (0.42) SYKAURKBINCENPTSPOKDM4E
SCHEMBL19475065 0.64 ALDH1A1 (0.51) SYKTSPOKDM4EALDH1A1TDP1

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-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 — — US disclosed
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 — — US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
EP-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 — — EP disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO 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 (4 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 SYK 3294/4885AURKB 2908/4885INCENP 3231/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 SYK 3294/4885AURKB 2908/4885INCENP 3231/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 SYK 3294/4885AURKB 2908/4885INCENP 3231/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 SYK 3294/4885AURKB 2908/4885INCENP 3231/4885

“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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