SCHEMBL13010702

SCHEMBL13010702

COC(=O)c1ccc(-c2cnc(N)c(O)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
HPGDS O60760 2/20 0.44
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
XDH P47989 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL488290 0.85 IKBKE (0.59) IKBKETBK1PDGFRBKDRCA12
SCHEMBL14997361 0.81 KDM4E (0.53) MAPK1KDM4EL3MBTL1IKBKETBK1
SCHEMBL24975195 0.79 MAPK1 (0.54) MAPK1KDM4EL3MBTL1HPGDSCA12
SCHEMBL29854270 0.79 MAPK1 (0.54) MAPK1KDM4EL3MBTL1HPGDSCA12
SCHEMBL29598250 0.78 MAPK1 (0.61) MAPK1KDM4EL3MBTL1HPGDSCA12
SCHEMBL13010700 0.78 MAP4K4 (0.64) L3MBTL1HPGDSPDGFRBKDRXDH
SCHEMBL29651058 0.77 MAPK1 (0.69) MAPK1KDM4EL3MBTL1HPGDSCA12
SCHEMBL29651074 0.77 MAPK1 (0.69) MAPK1KDM4EL3MBTL1HPGDSCA12
SCHEMBL70712 0.77 MAPK1 (0.69) MAPK1KDM4EL3MBTL1HPGDSCA12
SCHEMBL30392683 0.77 NPC1 (0.59) MAPK1KDM4EL3MBTL1HPGDSCA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324061-A1 including crizotinib which is 3-[(R)-1-(2-chloro-3,6-difluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine; c-met inhibitors; hepatocyte growth factor (HGF) receptor (c-MET) receptor tyrosine kinase (RTK) AGOURON PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-20100324061-A1 including crizotinib which is 3-[(R)-1-(2-chloro-3,6-difluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine; c-met inhibitors; hepatocyte growth factor (HGF) receptor (c-MET) receptor tyrosine kinase (RTK) AGOURON PHARMACEUTICALS, INC. 2010-12-23 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 (1 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-20100324061-A1 including crizotinib which is 3-[(R)-1-(2-chloro-3,6-difluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine; c-met inhibitors; hepatocyte growth factor (HGF) receptor (c-MET) receptor tyrosine kinase (RTK) MET, HGF, ALK MAPK1 162/4885KDM4E 1085/4885L3MBTL1 1109/4885

“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.