SCHEMBL16109596

SCHEMBL16109596

CN1C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.52
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
ATM Q13315 2/20 0.39
GAA P10253 3/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
P4HB P07237 1/20 0.37
TP53 P04637 1/20 0.35

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
SCHEMBL11665099 0.78 MEN1 (0.60) BRD4MEN1KMT2AATMGAA
SCHEMBL16109306 0.76 GAA (0.60) BRD4MEN1KMT2AGAACYP1A2
SCHEMBL9539830 0.74 BRD4 (0.52) BRD4MEN1KMT2AGAA
SCHEMBL19411635 0.71 PGR (0.45) LPLLIPGPRMT5WDR77
SCHEMBL12873509 0.71 LIPG (0.51) LPLLIPGP4HB
SCHEMBL16282601 0.70 LIPG (0.50) LPLLIPGPRMT5WDR77P4HB
SCHEMBL19411831 0.70 PIK3CD (0.43) BRD4LPLLIPGPRMT5WDR77
SCHEMBL16108870 0.68 BRD4 (1.00) BRD4
SCHEMBL16108904 0.68 BRD4 (1.00) BRD4
SCHEMBL18488019 0.68 LIPG (0.47) LPLLIPGP4HB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978758-B1 DIHYDROQUINAZOLINONE ANALOGUES AS BRD4 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-02-08 EP disclosed
EP-2978758-B1 DIHYDROQUINAZOLINONE ANALOGUES AS BRD4 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-02-08 EP disclosed
EP-2978758-A1 DIHYDROQUINAZOLINONE ANALOGUES AS BRD4 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2016-02-03 EP disclosed
US-9199988-B2 Dihydroquinazolinone analogues BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-01 US disclosed
US-9199988-B2 Dihydroquinazolinone analogues BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-01 US disclosed
US-20140296230-A1 DIHYDROQUINAZOLINONE ANALOGUES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-02 US disclosed
US-20140296230-A1 DIHYDROQUINAZOLINONE ANALOGUES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-02 US disclosed
WO-2014154762-A1 DIHYDROQUINAZOLINONE ANALOGUES AS BRD4 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-02 WO disclosed
WO-2014154762-A1 DIHYDROQUINAZOLINONE ANALOGUES AS BRD4 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-02 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 (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-20140296230-A1 DIHYDROQUINAZOLINONE ANALOGUES MKI67, NQO2, CCNI BRD4 1359/4885LPL 4739/4885LIPG 3927/4885

“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.