SCHEMBL13729969

SCHEMBL13729969

CC1CNc2cc(Br)ccc2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.46
MAPKAPK2 P49137 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
CMA1 P23946 1/20 0.40
AHR P35869 1/20 0.40
BRD4 O60885 1/20 0.40
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TGM2 P21980 1/20 0.38
CES1 P23141 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
NQO2 P16083 1/20 0.37

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
SCHEMBL13729633 0.81 MAPKAPK2 (0.37) BRD9MAPKAPK2GABRA1GABRA5GABRA3
SCHEMBL11661271 0.81 BRD9 (0.46) BRD9CMA1AHRPOLBCA1
SCHEMBL315113 0.79 PDE3B (0.48) BRD9MAPKAPK2POLBCA1CA2
SCHEMBL315112 0.79 PDE3B (0.48) BRD9MAPKAPK2POLBCA1CA2
SCHEMBL315114 0.79 PDE3B (0.48) BRD9MAPKAPK2POLBCA1CA2
SCHEMBL11658348 0.78 CREBBP (0.53) BRD9BRD4MAPTMEN1KMT2A
SCHEMBL14550603 0.75 BRD4 (0.51) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7428693 0.75 BRD4 (0.51) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11654866 0.75 PDE3B (0.47) BRD9MAPKAPK2BRD4POLBCA1
SCHEMBL15823711 0.75 BRPF1 (0.59) GABRA1GABRA5GABRA3GABRA2GABRB2

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-2705039-B1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-07-26 EP disclosed
EP-2705039-B1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-07-26 EP disclosed
US-9422292-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
US-9422292-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
US-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
EP-2705039-A2 BROMODOMAIN INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed
WO-2012151512-A2 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
WO-2012151512-A2 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-11-08 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-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT BRD9 15/4885MAPKAPK2 1656/4885GABRA1 1807/4885

“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.