SCHEMBL906191

SCHEMBL906191

CCCC(N)c1cncc(C)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.36
HCAR2 Q8TDS4 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.31
CA2 P00918 1/20 0.31
ATM Q13315 1/20 0.31
CYP2A6 P11509 2/20 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
SCHEMBL31226670 0.83 ROCK1 (0.35) ROCK1SCN10ACA2
SCHEMBL19879650 0.82 HCAR2 (0.34) HCAR2ATMCYP2A6
SCHEMBL3466815 0.81 KDM4E (0.39) ROCK1HCAR2CA2CYP2A6
SCHEMBL2400728 0.81 KDM4E (0.39) ROCK1HCAR2CA2CYP2A6
SCHEMBL19055366 0.81 HCAR2 (0.33) HCAR2CA2ATMCYP2A6
SCHEMBL28835042 0.79 TACR1 (0.37) ROCK1SCN10ACA2
SCHEMBL2559767 0.78 AKT1 (0.32) ROCK1CA2
SCHEMBL2398918 0.76 CCR1 (0.43) ROCK1CA2
SCHEMBL3466773 0.76 CCR1 (0.43) ROCK1CA2
SCHEMBL3465680 0.76 APLNR (0.45) CA2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732046-B2 Substituted 1,2,4-triazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2017-08-15 US disclosed
US-9732046-B2 Substituted 1,2,4-triazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2017-08-15 US disclosed
US-9732046-B2 Substituted 1,2,4-triazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2017-08-15 US disclosed
US-20160031835-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. 2016-02-04 US disclosed
US-20160031835-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. 2016-02-04 US disclosed
US-20160031835-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. 2016-02-04 US disclosed
US-9139560-B2 Substituted pyrazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-09-22 US disclosed
US-9139560-B2 Substituted pyrazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-09-22 US disclosed
US-9139560-B2 Substituted pyrazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2015-09-22 US disclosed
EP-2277865-B1 Phenyl-substituted 6-ring nitrogen-heterocycles as microtubule polymerisation inhibitors YM BIOSCIENCES AUSTRALIA PTY (AU) 2014-11-12 EP disclosed
US-7981900-B2 Modulation microtubules diseases; antiproliferative agents; antiinflamamtory agents YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-07-19 US disclosed
US-7981900-B2 Modulation microtubules diseases; antiproliferative agents; antiinflamamtory agents YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-07-19 US disclosed
EP-1689715-B1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2011-02-09 EP disclosed
EP-2277865-A1 Phenyl-substituted 6-ring nitrogen-heterocycles as microtubule polymerisation inhibitors YM BioSciences Australia Pty Ltd (AU) 2011-01-26 EP disclosed
EP-2277865-A1 Phenyl-substituted 6-ring nitrogen-heterocycles as microtubule polymerisation inhibitors YM BioSciences Australia Pty Ltd (AU) 2011-01-26 EP disclosed
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 US disclosed
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 US disclosed
EP-1689715-A4 TUBULIN INHIBITORS CYTOPIA RES PTY LTD (AU) 2008-01-23 EP disclosed
EP-1689715-A1 TUBULIN INHIBITORS Cytopia Research Pty Ltd (AU) 2006-08-16 EP disclosed
WO-2005054199-A1 TUBULIN INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2005-06-16 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 (2 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-20160031835-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C ROCK1 404/4885HCAR2 4465/4885SCN10A 1599/4885
US-20080194583-A1 Tubulin Inhibitors TUBB1, TUBB3, TUBA1C ROCK1 456/4885HCAR2 4522/4885SCN10A 1612/4885

“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.