SCHEMBL16746009

SCHEMBL16746009

Cc1noc2c1-c1ccccc1NC(C)C2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.59
CREBBP Q92793 7/20 0.40
EP300 Q09472 1/20 0.40
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.36
BRD2 P25440 1/20 0.36
TDO2 P48775 1/20 0.34
NOS2 P35228 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL16738078 0.75 BRD4 (1.00) BRD4BRD2TDO2NOS2
SCHEMBL16746008 0.67 BRD4 (0.45) BRD4CREBBP
SCHEMBL20180674 0.66 NISCH (0.49) BRD4CREBBPEP300RAB9ATSHR
SCHEMBL6419356 0.65 CREBBP (0.59) BRD4CREBBPEP300RAB9ATSHR
SCHEMBL29660000 0.65 CREBBP (0.59) BRD4CREBBPEP300RAB9ATSHR
SCHEMBL16738081 0.63 BRD4 (0.44) BRD4CREBBPBRD2TDO2
SCHEMBL16745966 0.63 CREBBP (0.41) BRD4CREBBPEP300RAB9ATSHR
SCHEMBL12837999 0.62 CREBBP (0.55) BRD4CREBBPEP300RAB9ATSHR
SCHEMBL1736809 0.62 CREBBP (0.55) BRD4CREBBPEP300RAB9ATSHR
SCHEMBL29572486 0.62 CREBBP (0.55) BRD4CREBBPEP300RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624244-B2 Benzo [B] isoxazoloazepine bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624244-B2 Benzo [B] isoxazoloazepine bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2864336-B1 BENZO[B]ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2016-11-23 EP disclosed
US-20150148333-A1 BENZO [B] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-05-28 US disclosed
US-20150148333-A1 BENZO [B] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-05-28 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 (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-20150148333-A1 BENZO [B] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRD3, BRD2 BRD4 1/4885CREBBP 16/4885EP300 13/4885

“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.