SCHEMBL10123006

SCHEMBL10123006

COc1cc(/C=C/c2nc(Nc3cc(C)[nH]n3)cc(OC3CCNCC3)n2)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.42
AURKA O14965 5/20 0.42
TYK2 P29597 5/20 0.42
PLK4 O00444 4/20 0.42
AURKB Q96GD4 3/20 0.42
PAK4 O96013 3/20 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
RET P07949 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
KDR P35968 2/20 0.42
FLT3 P36888 2/20 0.42
PTK2 Q05397 2/20 0.42
MAP4K5 Q9Y4K4 2/20 0.42
CHEK1 O14757 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
SCHEMBL10122954 0.87 AURKA (0.56) JAK3AURKATYK2PLK4AURKB
SCHEMBL10122973 0.87 JAK3 (0.47) JAK3AURKATYK2PLK4AURKB
SCHEMBL10122992 0.85 JAK3 (0.46) JAK3AURKATYK2PLK4AURKB
SCHEMBL10123016 0.80 JAK3 (0.41) JAK3AURKATYK2PLK4AURKB
SCHEMBL10123009 0.77 PLK4 (0.42) JAK3AURKATYK2PLK4AURKB
SCHEMBL10122919 0.77 JAK3 (0.55) JAK3AURKATYK2PLK4AURKB
SCHEMBL10123057 0.77 AURKA (0.66) JAK3AURKATYK2PLK4AURKB
SCHEMBL10123004 0.76 AURKA (0.58) JAK3AURKATYK2PLK4AURKB
SCHEMBL10123007 0.75 AURKA (0.42) JAK3AURKATYK2PLK4AURKB
SCHEMBL597192 0.74 AURKA (0.74) JAK3AURKATYK2PLK4AURKB

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 JAK3 665/4885AURKA 2/4885TYK2 506/4885
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB JAK3 523/4885AURKA 2/4885TYK2 465/4885

“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.