SCHEMBL905971

SCHEMBL905971

CCC[C@H](N)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
KCNA5 P22460 3/20 0.41
KCNN4 O15554 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP19A1 P11511 1/20 0.41
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
GAA P10253 1/20 0.40
TBXAS1 P24557 1/20 0.39
KCNH2 Q12809 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
SCHEMBL906141 1.00 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL20319037 1.00 CFTR (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL14786230 0.89 L3MBTL1 (0.46) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL29669002 0.85 SLC6A4 (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL3465672 0.85 SLC6A4 (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6855637 0.85 SLC6A4 (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1037866 0.85 SLC6A4 (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL9073846 0.83 SLC6A4 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL29484721 0.83 SLC6A4 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL20302615 0.83 SLC6A4 (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC

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-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
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP 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-20130274263-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD 2013-10-17 US disclosed
EP-1904478-B1 ACID ADDITION SALTS OF N-ETHYL-N'-[2-METHOXY-4-(5-METHYL-4-{[(1S)-1-PYRIDIN-3-YLBUTYL]AMINO}PYRIMIDIN- 2-YL)PHENYL]UREA AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2013-07-24 EP disclosed
US-8394806-B2 2-phenyl pyrazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-03-12 US disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 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
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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20090281119-A1 ACID ADDITION SALTS OF N-ETHYI-N'-[2-METHOXY-4-(5-METHYI-4-PRYIMIDIN-2-YL)PHENYL]UREA AND USES THEREOF CYTOPIA RESEARCH PTY LTD. (AU) 2009-11-12 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 (8 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CFTR 369/4885SLC6A2 4643/4885SLC6A4 4396/4885
US-20160031835-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C CFTR 3227/4885SLC6A2 3835/4885SLC6A4 4479/4885
US-20080194583-A1 Tubulin Inhibitors TUBB1, TUBB3, TUBA1C CFTR 3271/4885SLC6A2 3799/4885SLC6A4 4446/4885
US-20090281119-A1 ACID ADDITION SALTS OF N-ETHYI-N'-[2-METHOXY-4-(5-METHYI-4-PRYIMIDIN-2-YL)PHENYL]UREA AND USES THEREOF PAH, CCNY, UMPS CFTR 1608/4885SLC6A2 157/4885SLC6A4 83/4885
US-20110269760-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C CFTR 3227/4885SLC6A2 3835/4885SLC6A4 4479/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CFTR 541/4885SLC6A2 4677/4885SLC6A4 4328/4885
US-20130274263-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C CFTR 3227/4885SLC6A2 3835/4885SLC6A4 4479/4885
US-20140221396-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C CFTR 3227/4885SLC6A2 3835/4885SLC6A4 4479/4885

“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.