SCHEMBL13729922

SCHEMBL13729922

CC1CNc2ccc(F)cc2NC1=S

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR2A P28223 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PGR P06401 1/20 0.33
ACHE P22303 1/20 0.32
ALOX12 P18054 1/20 0.31
HTR5A P47898 4/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL13729882 0.81 BRD9 (0.41) HTR2CHTR2ACA1CA2ACHE
SCHEMBL11661554 0.81 CHRM1 (0.42) HTR2CALDH1A1HTR2A
SCHEMBL11658276 0.78 PDE3B (0.40) HTR2CALDH1A1HTR2AACHEHTR5A
SCHEMBL11658394 0.78 ALDH1A1 (0.53) ALDH1A1ALOX12NPC1
SCHEMBL13729633 0.74 MAPKAPK2 (0.37) HTR2CALDH1A1HTR2ACA1CA2
SCHEMBL11657761 0.74 CHRM1 (0.42) HTR2CALDH1A1HTR2A
SCHEMBL31158608 0.74 HTR2C (0.49) HTR2CHTR2ACA1CA2ACHE
SCHEMBL2258698 0.74 HTR2C (0.53) HTR2CALDH1A1HTR2ACA1CA2
SCHEMBL315233 0.73 PDE3B (0.41) HTR2CALDH1A1HTR2AACHEHTR5A
SCHEMBL315232 0.73 PDE3B (0.41) HTR2CALDH1A1HTR2AACHEHTR5A

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 HTR2C 3015/4885ALDH1A1 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.