SCHEMBL16896881

SCHEMBL16896881

COc1cc2c(ccc(=O)n2CCc2ccccn2)cc1-c1c(C)noc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.52
▸ CYP3A4 P08684 4/20 0.51
▸ CYP2C9 P11712 4/20 0.51
▸ BRD2 P25440 4/20 0.51
▸ BRD3 Q15059 4/20 0.51
▸ CREBBP Q92793 2/20 0.43
▸ CACNA1A O00555 1/20 0.43
▸ CHRNA1 P02708 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CCL2 P13500 1/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ AVPR1A P37288 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ BRDT Q58F21 1/20 0.43
▸ KCNH3 Q9ULD8 1/20 0.43

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
SCHEMBL16905847 0.91 BRD4 (0.60) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16896887 0.84 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20357612 0.83 BRD4 (0.46) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL20547340 0.83 BRD4 (0.61) BRD4CYP3A4CYP2C9BRD2BRD3
Odm-207 SCHEMBL16896828 0.82 BRD4 (0.60) BRD4CYP3A4CYP2C9BRD2BRD3
Odm-207 SCHEMBL29732197 0.82 BRD4 (0.60) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18326384 0.81 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL16905805 0.81 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18326364 0.81 ACHE (0.47) KCNA5
SCHEMBL18326399 0.81 BRD4 (0.49) BRD4CYP3A4CYP2C9BRD2BRD3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2018-09-18 — — US claimed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP claimed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US claimed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
EP-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP 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
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 (3 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 BRD4 4/4885CYP3A4 1942/4885CYP2C9 1528/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 BRD4 4/4885CYP3A4 1942/4885CYP2C9 1528/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 BRD4 4/4885CYP3A4 1942/4885CYP2C9 1528/4885

“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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