SCHEMBL906183

SCHEMBL906183

CCCC(=O)c1cncc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.58
ATM Q13315 1/20 0.53
HSD17B3 P37058 1/20 0.44
SMYD3 Q9H7B4 3/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TLK2 Q86UE8 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL26308881 0.85 HCAR2 (0.62) HCAR2ATMSMYD3CYP2C9CYP2C19
SCHEMBL16891501 0.81 POLB (0.58) HCAR2CYP2C19SMN1; SMN2L3MBTL1HTT
SCHEMBL17819609 0.81 HCAR2 (0.62) HCAR2ATMSMYD3CYP2C9CYP2C19
SCHEMBL11243516 0.80 HCAR2 (0.51) HCAR2ATMSMYD3CYP2C9CYP2C19
SCHEMBL1203317 0.79 HCAR2 (0.60) HCAR2ATMSMYD3CYP2C9CYP2C19
SCHEMBL5570090 0.78 HSD17B3 (0.52) HSD17B3HPGDSMN1; SMN2L3MBTL1RAB9A
Bromide SCHEMBL17504050 0.78 HCAR2 (0.58) HCAR2ATMSMYD3CYP2C9CYP2C19
SCHEMBL17819556 0.77 MKNK1 (0.44) HSD17B3CYP2C19HPGDALDH1A1HSD17B10
SCHEMBL21240973 0.76 HCAR2 (0.56) HCAR2ATMSMYD3CYP2C9CYP2C19
SCHEMBL29939950 0.76 ATM (0.56) HCAR2ATMSMYD3CYP2C9CYP2C19

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-20110269760-A1 TUBULIN INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-11-03 US disclosed
US-20110269760-A1 TUBULIN INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-11-03 US 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
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
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
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 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 (3 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 HCAR2 4465/4885ATM 748/4885HSD17B3 1908/4885
US-20080194583-A1 Tubulin Inhibitors TUBB1, TUBB3, TUBA1C HCAR2 4522/4885ATM 735/4885HSD17B3 2055/4885
US-20110269760-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C HCAR2 4465/4885ATM 748/4885HSD17B3 1908/4885

“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.