SCHEMBL21904895

SCHEMBL21904895

CNc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3ccccc23)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.72
BRD2 P25440 1/20 0.56
ADORA2B P29275 1/20 0.56
TSPO P30536 1/20 0.56
EP300 Q09472 1/20 0.56
BRD3 Q15059 1/20 0.56
BRDT Q58F21 1/20 0.56

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
SCHEMBL16658037 0.88 BRD4 (0.79) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL16651923 0.86 BRD4 (0.77) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL29848993 0.86 BRD4 (0.77) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL28630230 0.85 BRD4 (0.71) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL20155401 0.85 BRD4 (0.69) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL19930712 0.84 BRD4 (0.68) BRD4
SCHEMBL21904986 0.84 BRD4 (1.00) BRD4
SCHEMBL21904853 0.84 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL21904860 0.84 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300
SCHEMBL21904881 0.83 BRD4 (1.00) BRD4BRD2ADORA2BTSPOEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS NUVATION BIO INC (US) 2022-07-07 US disclosed
US-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS NUVATION BIO INC (US) 2022-07-07 US disclosed
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors NUVATION BIO INC. (US) 2021-12-07 US disclosed
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors NUVATION BIO INC. (US) 2021-12-07 US disclosed
EP-3873474-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS Nuvation Bio Inc. (US) 2021-09-08 EP disclosed
CN-113226322-A Heterocyclic compounds as BET inhibitors 诺维逊生物股份有限公司 2021-08-06 CN disclosed
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-05-07 US disclosed
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-05-07 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-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS BET1, BRD4, BRD3 BRD4 2/4885BRD2 6/4885ADORA2B 4804/4885
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 BRD4 2/4885BRD2 5/4885ADORA2B 4823/4885
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors BET1, BRD4, PHKB BRD4 2/4885BRD2 6/4885ADORA2B 4775/4885

“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.