SCHEMBL14739137

SCHEMBL14739137

CCOC(=O)c1cnc2cc(OC(F)F)ccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
GLA P06280 3/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KIT P10721 1/20 0.44
TGFBR1 P36897 2/20 0.44
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IDO1 P14902 3/20 0.38
PCSK9 Q8NBP7 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
SCHEMBL17437845 0.88 KDM4E (0.47) KDM4EGLAGAAHPGDALDH1A1
SCHEMBL16370033 0.87 KDM4E (0.53) KDM4EGLAGAAHPGDALDH1A1
SCHEMBL16369955 0.86 KDM4E (0.52) KDM4EGLAGAAHPGDALDH1A1
SCHEMBL25967061 0.83 KDM4E (0.47) KDM4EGLAGAAHPGDALDH1A1
SCHEMBL30935784 0.83 GAA (0.47) KDM4EGLAGAAHPGDALDH1A1
SCHEMBL9941921 0.83 KDM4E (0.49) KDM4EGLAGAAHPGDALDH1A1
SCHEMBL2046586 0.82 KDM4E (0.53) KDM4EGLAGAAHPGDALDH1A1
SCHEMBL19697600 0.82 KDM4E (0.48) KDM4EGLAGAAHPGDALDH1A1
SCHEMBL731532 0.82 CSF1R (0.49) KDM4EGLAGAAHPGDALDH1A1
SCHEMBL14750970 0.82 KIT (0.44) KDM4EGAAALDH1A1KITNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751104-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-09-25 EP disclosed
EP-2751104-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-09-25 EP disclosed
EP-2751102-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-03-27 EP disclosed
EP-2751102-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-03-27 EP disclosed
EP-3169682-B1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-12-26 EP disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-20130059832-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 US disclosed
WO-2013033116-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
WO-2013033167-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
WO-2013033203-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
WO-2013033070-A1 COMPOUNDS AND COMPOSITIONS AS c-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 WO disclosed
US-20130059832-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 US disclosed
US-20130059832-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 US disclosed
US-20130059846-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 US disclosed
US-20130059846-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 US disclosed
US-20130059846-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS IRM LLC (BM) 2013-03-07 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-20130059832-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB KDM4E 721/4885GLA 1529/4885GAA 726/4885
US-20130059846-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB KDM4E 721/4885GLA 1529/4885GAA 726/4885
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 KDM4E 1546/4885GLA 3012/4885GAA 4260/4885

“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.