SCHEMBL13729633

SCHEMBL13729633

CC1CNc2cc(Br)ccc2NC1=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ADRA2A P08913 2/20 0.35
PNMT P11086 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CHRM1 P11229 1/20 0.34
BRD4 O60885 1/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 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
SCHEMBL13729969 0.81 BRD9 (0.46) MAPKAPK2HTR2AHTR2CHTR2BCA1
SCHEMBL11657761 0.81 CHRM1 (0.42) ALDH1A1HTR2AHTR2CHTR2BADRA2A
SCHEMBL315232 0.79 PDE3B (0.41) MAPKAPK2ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL315233 0.79 PDE3B (0.41) MAPKAPK2ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL315231 0.79 PDE3B (0.41) MAPKAPK2ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL12654554 0.78 PARP1 (0.36) ALDH1A1BRD9ALOX12
SCHEMBL11658394 0.78 ALDH1A1 (0.53) ALDH1A1CHRM1BRD4LMNAALOX12
SCHEMBL31398247 0.75 BRD4 (0.44) ALDH1A1HTR2AHTR2CHTR2BADRA2A
SCHEMBL11658276 0.75 PDE3B (0.40) MAPKAPK2ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL13729922 0.74 HTR2C (0.36) ALDH1A1HTR2AHTR2CCA1CA2

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 MAPKAPK2 1656/4885ALDH1A1 3348/4885HTR2A 3235/4885

“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.