SCHEMBL10123015

SCHEMBL10123015

COc1cc(/C=C/c2nc(NC(=O)CCN3CCOCC3)cc(Nc3cc(C)[nH]n3)n2)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.48
CHRNA3 P32297 1/20 0.47
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AURKB Q96GD4 3/20 0.42
RET P07949 4/20 0.42
PAK1 Q13153 2/20 0.42
PLK4 O00444 2/20 0.42
ABL1 P00519 2/20 0.42
NTRK1 P04629 2/20 0.42
LCK P06239 2/20 0.42
CSF1R P07333 2/20 0.42
KIT P10721 2/20 0.42
FGFR1 P11362 2/20 0.42
SRC P12931 2/20 0.42
PDGFRA P16234 2/20 0.42
TYK2 P29597 2/20 0.42
KDR P35968 2/20 0.42
FLT3 P36888 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
SCHEMBL10122986 0.88 AURKA (0.48) AURKACHRNA3AURKBRETPAK1
SCHEMBL10122999 0.86 AURKA (0.47) AURKAAURKBRETPAK1PLK4
SCHEMBL10123014 0.86 AURKA (0.49) AURKAPOLBAURKBRETPAK1
SCHEMBL10123025 0.82 AURKA (0.46) AURKAAURKBRETPAK1PLK4
SCHEMBL10123008 0.78 AURKA (0.53) AURKAAURKBRETPAK1PLK4
SCHEMBL10123043 0.78 RAB9A (0.44) AURKACHRNA3POLBMAPK1L3MBTL1
SCHEMBL10123009 0.76 PLK4 (0.42) AURKAAURKBRETPAK1PLK4
SCHEMBL10122991 0.74 AURKA (0.49) AURKAPOLBAURKBRETPAK1
SCHEMBL10122960 0.74 AURKA (0.54) AURKAAURKBRETPAK1PLK4
SCHEMBL597192 0.73 AURKA (0.74) AURKAAURKBRETPAK1PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928456-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS INC (US) 2015-04-22 EP disclosed
US-8114870-B2 Method of treating disease states using substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-8114870-B2 Method of treating disease states using substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-10-22 US disclosed
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-10-22 US disclosed
US-7563787-B2 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2009-07-21 US disclosed
US-7563787-B2 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2009-07-21 US disclosed
US-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 US disclosed
US-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 US disclosed
WO-2007041358-A2 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. (US) 2007-04-12 WO 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 (2 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-20070142368-A1 Substituted pyrazole compounds AURKC, AURKA, AURKB AURKA 2/4885CHRNA3 3858/4885POLB 1729/4885
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB AURKA 2/4885CHRNA3 3493/4885POLB 1373/4885

“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.