SCHEMBL10123017

SCHEMBL10123017

COCCNc1cc(Nc2cc(C)[nH]n2)nc(/C=C/c2ccco2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.40
FGFR1 P11362 4/20 0.40
KDR P35968 4/20 0.40
AURKB Q96GD4 4/20 0.40
SRC P12931 3/20 0.40
PLK4 O00444 2/20 0.40
ABL1 P00519 2/20 0.40
NTRK1 P04629 2/20 0.40
LCK P06239 2/20 0.40
CSF1R P07333 2/20 0.40
RET P07949 2/20 0.40
KIT P10721 2/20 0.40
PDGFRA P16234 2/20 0.40
TYK2 P29597 2/20 0.40
FLT3 P36888 2/20 0.40
PTK2 Q05397 2/20 0.40
MAP4K5 Q9Y4K4 2/20 0.40
FYN P06241 2/20 0.40
YES1 P07947 2/20 0.40
ITK Q08881 2/20 0.40

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
SCHEMBL10123020 0.86 FLT3 (0.41) AURKAFGFR1KDRAURKBSRC
SCHEMBL10123032 0.86 IGF1R (0.49) PAK1IGF1RMAPT
SCHEMBL10122955 0.84 AURKA (0.56) AURKAFGFR1KDRAURKBSRC
SCHEMBL10123022 0.83 AURKA (0.52) AURKAFGFR1KDRAURKBSRC
SCHEMBL10122978 0.82 AURKA (0.47) AURKAFGFR1KDRAURKBSRC
SCHEMBL10122996 0.80 AURKA (0.46) AURKAFGFR1KDRAURKBSRC
SCHEMBL10123007 0.79 AURKA (0.42) AURKAFGFR1KDRAURKBSRC
SCHEMBL10123023 0.76 PLK4 (0.42) AURKAFGFR1KDRAURKBSRC
SCHEMBL13945036 0.75 ITK (0.57) AURKAFGFR1KDRAURKBSRC
SCHEMBL10123016 0.75 JAK3 (0.41) AURKAFGFR1KDRAURKBSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885FGFR1 1430/4885KDR 2577/4885
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB AURKA 2/4885FGFR1 1382/4885KDR 2717/4885

“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.