SCHEMBL8203794

SCHEMBL8203794

Cc1cccc(CC(=N)N)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.61
HTR3B O95264 2/20 0.61
HTR3A P46098 2/20 0.61
HTR3D Q70Z44 2/20 0.61
HTR3C Q8WXA8 2/20 0.61
TAAR1 Q96RJ0 2/20 0.61
IDO1 P14902 2/20 0.50
CTBP2 P56545 1/20 0.49
POLB P06746 1/20 0.47
MAPK8 P45983 1/20 0.46
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
AURKB Q96GD4 1/20 0.44
PARP1 P09874 1/20 0.42
ACHE P22303 1/20 0.42
SLC11A2 P49281 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR3C2 P08235 1/20 0.41

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
SCHEMBL30468689 1.00 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL213051 0.98 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2810781 0.85 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17548500 0.81 TAAR1 (0.58) TAAR1IDO1L3MBTL1NR3C2
SCHEMBL19266040 0.80 TAAR1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1985821 0.80 CTBP2 (0.57) TAAR1IDO1CTBP2POLBMAPK8
SCHEMBL13088176 0.80 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4886797 0.80 TAAR1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4208388 0.78 HTR3E (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1580471 0.77 CTBP2 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C

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 12 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-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-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-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 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 (5 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 HTR3E 950/4885HTR3B 591/4885HTR3A 888/4885
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 HTR3E 950/4885HTR3B 591/4885HTR3A 888/4885
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 HTR3E 597/4885HTR3B 328/4885HTR3A 625/4885
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 HTR3E 950/4885HTR3B 591/4885HTR3A 888/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP HTR3E 848/4885HTR3B 886/4885HTR3A 545/4885

“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.