SCHEMBL13718482

SCHEMBL13718482

Nc1ccc(CCNc2nc(Cc3ccc(F)cc3)ns2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
ADRA1D P25100 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CYP3A4 P08684 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MAP4K4 O95819 1/20 0.39
ADORA2A P29274 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL13718831 0.93 TAAR1 (0.45) HTR7HTR6ADRA1DHTR2CADRA1A
SCHEMBL13717751 0.88 NPC1 (0.44) HTR7TAAR1BCHEACHEALDH1A1
SCHEMBL13717813 0.87 KDM4E (0.40) HTR7HTR6ADRA1DHTR2CADRA1A
SCHEMBL13718775 0.87 LMNA (0.45) CYP3A4TAAR1BCHEACHEALDH1A1
SCHEMBL13718623 0.87 ADORA2A (0.46) HTR7HTR6ADRA1DHTR2CADRA1A
SCHEMBL13728451 0.84 CA1 (0.59) CA12CA1CA2CA3CA4
SCHEMBL13718017 0.84 ALDH1A1 (0.48) BCHEACHEALDH1A1KDM4E
SCHEMBL1021374 0.84 ALDH1A1 (0.37) HTR7HTR6ADRA1DHTR2CADRA1A
SCHEMBL13718539 0.84 BCHE (0.38) HTR7HTR6ADRA1DHTR2CADRA1A
SCHEMBL1019817 0.82 STK17A (0.38) HTR6TAAR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-10-06 US disclosed
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-10-06 US disclosed
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-10-06 US disclosed
US-9278962-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2016-03-08 US disclosed
US-9278962-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2016-03-08 US disclosed
US-9278962-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2016-03-08 US disclosed
US-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC (US) 2014-11-06 US disclosed
US-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC (US) 2014-11-06 US disclosed
US-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC (US) 2014-11-06 US disclosed
US-8759380-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-8759380-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-8759380-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2013-03-07 US disclosed
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2013-03-07 US disclosed
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2013-03-07 US disclosed
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 US disclosed
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 US disclosed
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 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 (4 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-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX HTR7 513/4885HTR6 2240/4885ADRA1D 269/4885
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX HTR7 513/4885HTR6 2240/4885ADRA1D 269/4885
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1S HTR7 321/4885HTR6 1452/4885ADRA1D 294/4885
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX HTR7 513/4885HTR6 2240/4885ADRA1D 269/4885

“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.