SCHEMBL18326382

SCHEMBL18326382

COc1cc2c(cc1Br)c(C)cc(=O)n2Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ NOX4 Q9NPH5 4/20 0.42
▸ PLA2G2A P14555 2/20 0.42
▸ BRD4 O60885 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 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
SCHEMBL18329414 0.86 HTR2A (0.43) HTR2AHTR2CNOX4PLA2G2ABRD4
SCHEMBL18326381 0.86 AR (0.41) HTR2AHTR2CNOX4PLA2G2ABRD4
SCHEMBL16906142 0.85 ACHE (0.43) HTR2AHTR2CNOX4PLA2G2ABRD4
SCHEMBL16896825 0.82 HTR2A (0.44) HTR2AHTR2CNOX4PLA2G2ABRD4
SCHEMBL16896780 0.81 BRD4 (0.60) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL18326378 0.81 GABRA5 (0.45) HTR2AHTR2CNOX4PLA2G2ABRD4
SCHEMBL29732326 0.81 GABRA5 (0.45) HTR2AHTR2CNOX4PLA2G2ABRD4
SCHEMBL20373356 0.80 PLA2G2A (0.39) NOX4PLA2G2AMEN1KMT2AKDM4E
SCHEMBL18359585 0.79 HTR2A (0.45) HTR2AHTR2CNOX4PLA2G2ABCHE
SCHEMBL11459781 0.79 MEN1 (0.63) NOX4PLA2G2ACYP3A4MEN1KMT2A

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 4 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
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 (2 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 HTR2A 2532/4885HTR2C 1545/4885NOX4 1664/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 HTR2A 2532/4885HTR2C 1545/4885NOX4 1664/4885

“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