SCHEMBL18326392

SCHEMBL18326392

COc1cc2c(ccc(=O)n2Cc2cccnc2)cc1-c1c(C)noc1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 17/20 0.49
▸ CYP3A4 P08684 5/20 0.49
▸ BRD2 P25440 4/20 0.49
▸ BRD3 Q15059 3/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ CYP2C19 P33261 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ CLK4 Q9HAZ1 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
SCHEMBL18326384 0.85 BRD4 (0.49) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL16896887 0.85 BRD4 (0.49) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL16896919 0.85 BRD4 (0.47) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL18326397 0.85 BRD4 (0.48) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL16906011 0.83 BRD4 (0.43) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL16905847 0.83 BRD4 (0.60) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL20357625 0.82 BRD4 (0.47) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL18326387 0.82 BRD4 (0.46) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL16896876 0.82 BRD4 (0.48) BRD4CYP3A4BRD2BRD3CYP2C9
SCHEMBL20373752 0.80 PDE5A (0.40) ALDH1A1TDP1

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 6 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-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
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

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 1942/4885BRD2 2/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 BRD4 4/4885CYP3A4 1942/4885BRD2 2/4885
US-10077259-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 BRD4 4/4885CYP3A4 1942/4885BRD2 2/4885

“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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