SCHEMBL906025

SCHEMBL906025

CCC[C@H](Nc1nc(Cl)ncc1C)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ VDR P11473 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ USP1 O94782 2/20 0.34
▸ WDR48 Q8TAF3 2/20 0.34
▸ GCG P01275 2/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ CFTR P13569 1/20 0.33
▸ GOPC Q9HD26 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33

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
SCHEMBL16230350 1.00 GRM5 (0.36) GRM5LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL28721300 0.77 CRHR1 (0.46) LMNAKDM4EUSP1WDR48P2RX3
SCHEMBL29608562 0.77 CRHR1 (0.46) LMNAKDM4EUSP1WDR48P2RX3
SCHEMBL12107186 0.74 PDE4D (0.43) SMN1; SMN2KDM4EGAAUSP1WDR48
SCHEMBL14670409 0.74 EGFR (0.43) SMN1; SMN2CYP19A1P2RX3CFTRGOPC
SCHEMBL906176 0.74 CSF1R (0.46) KDM4ECYP19A1CFTRGOPCKCNN4
SCHEMBL28763820 0.74 CSF1R (0.46) KDM4ECYP19A1CFTRGOPCKCNN4
SCHEMBL14670663 0.74 USP1 (0.51) LMNASMN1; SMN2USP1WDR48P2RX3
SCHEMBL14670585 0.74 USP1 (0.51) LMNASMN1; SMN2USP1WDR48P2RX3
SCHEMBL30930030 0.74 USP1 (0.51) LMNASMN1; SMN2USP1WDR48P2RX3

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 27 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-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
EP-2277865-B1 Phenyl-substituted 6-ring nitrogen-heterocycles as microtubule polymerisation inhibitors YM BIOSCIENCES AUSTRALIA PTY (AU) 2014-11-12 — — EP disclosed
US-20140221396-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2014-08-07 — — US disclosed
US-20140221396-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2014-08-07 — — US disclosed
US-20130274263-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD 2013-10-17 — — US disclosed
CN-102127056-A Tubulin inhibitors CYTOPIA RES PTY LTD 2011-07-20 — — CN 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
CN-1890218-A Tubulin inhibitors CYTOPIA RES PTY LTD (AU) 2007-01-03 — — CN 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-20160031835-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C GRM5 2653/4885LMNA 1627/4885SMN1; SMN2 474/4885
US-20080194583-A1 Tubulin Inhibitors TUBB1, TUBB3, TUBA1C GRM5 2567/4885LMNA 1564/4885SMN1; SMN2 425/4885
US-20130274263-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C GRM5 2653/4885LMNA 1627/4885SMN1; SMN2 474/4885
US-20140221396-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C GRM5 2653/4885LMNA 1627/4885SMN1; SMN2 474/4885

“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.

Send feedback