SCHEMBL598251

SCHEMBL598251

Cc1cc(Nc2cc(OCCN(C)C)nc(C=Cc3ccccc3)n2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.54
AURKB Q96GD4 3/20 0.54
PLK4 O00444 2/20 0.54
ABL1 P00519 2/20 0.54
NTRK1 P04629 2/20 0.54
LCK P06239 2/20 0.54
CSF1R P07333 2/20 0.54
RET P07949 2/20 0.54
KIT P10721 2/20 0.54
FGFR1 P11362 2/20 0.54
SRC P12931 2/20 0.54
PDGFRA P16234 2/20 0.54
TYK2 P29597 2/20 0.54
KDR P35968 2/20 0.54
FLT3 P36888 2/20 0.54
PTK2 Q05397 2/20 0.54
MAP4K5 Q9Y4K4 2/20 0.54
ITK Q08881 2/20 0.54
SYK P43405 2/20 0.54
CHEK1 O14757 1/20 0.54

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
SCHEMBL598250 1.00 AURKA (0.54) AURKAAURKBPLK4ABL1NTRK1
SCHEMBL10122912 0.88 AURKA (0.56) AURKAAURKBPLK4ABL1NTRK1
SCHEMBL10122949 0.88 AURKA (0.59) AURKAAURKBPLK4ABL1NTRK1
SCHEMBL10122951 0.85 AURKA (0.56) AURKAAURKBPLK4ABL1NTRK1
SCHEMBL10122905 0.83 FLT3 (0.56) AURKAAURKBPLK4ABL1NTRK1
SCHEMBL10122933 0.82 AURKA (0.56) AURKAAURKBPLK4ABL1NTRK1
SCHEMBL10122927 0.81 AURKA (0.59) AURKAAURKBPLK4ABL1NTRK1
SCHEMBL10122904 0.79 AURKA (0.61) AURKAAURKBPLK4ABL1NTRK1
SCHEMBL10122874 0.79 AURKA (0.66) AURKAAURKBPLK4ABL1NTRK1
SCHEMBL10122920 0.78 AURKA (0.65) AURKAAURKBPLK4ABL1NTRK1

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 5 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-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-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 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 (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 2/4885AURKB 3/4885PLK4 82/4885
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885PLK4 47/4885

“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.