SCHEMBL2495658

SCHEMBL2495658

Cc1cc(Nc2cc(N3CCC(N4CCCCC4)CC3)nc(C=Cc3ccccc3)n2)n[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.73
AURKB Q96GD4 7/20 0.73
NTRK1 P04629 3/20 0.73
PLK4 O00444 2/20 0.73
ABL1 P00519 2/20 0.73
LCK P06239 2/20 0.73
CSF1R P07333 2/20 0.73
RET P07949 2/20 0.73
KIT P10721 2/20 0.73
FGFR1 P11362 2/20 0.73
SRC P12931 2/20 0.73
PDGFRA P16234 2/20 0.73
TYK2 P29597 2/20 0.73
KDR P35968 2/20 0.73
FLT3 P36888 2/20 0.73
PTK2 Q05397 2/20 0.73
MAP4K5 Q9Y4K4 2/20 0.73
CHEK1 O14757 1/20 0.73
PDPK1 O15530 1/20 0.73
DAPK3 O43293 1/20 0.73

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
SCHEMBL12038579 1.00 AURKA (0.73) AURKAAURKBNTRK1PLK4ABL1
SCHEMBL2495654 1.00 AURKA (0.73) AURKAAURKBNTRK1PLK4ABL1
SCHEMBL2495206 0.99 AURKA (0.75) AURKAAURKBNTRK1PLK4ABL1
SCHEMBL2495205 0.99 AURKA (0.75) AURKAAURKBNTRK1PLK4ABL1
SCHEMBL2501336 0.95 AURKA (0.68) AURKAAURKBNTRK1PLK4ABL1
SCHEMBL12057596 0.95 AURKA (0.68) AURKAAURKBNTRK1PLK4ABL1
SCHEMBL2501332 0.95 AURKA (0.68) AURKAAURKBNTRK1PLK4ABL1
SCHEMBL2499575 0.93 AURKA (0.76) AURKAAURKBNTRK1PLK4ABL1
SCHEMBL2499576 0.93 AURKA (0.76) AURKAAURKBNTRK1PLK4ABL1
SCHEMBL9988837 0.92 AURKA (0.72) AURKAAURKBNTRK1PLK4ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110318393-A1 Substituted Pyrazole Compounds MIIKANA THERAPEUTICS, INC. (US) 2011-12-29 US disclosed
EP-2373313-A1 SUBSTITUTED PYRAZOLE COMPOUNDS Miikana Therapeutics, Inc. (US) 2011-10-12 EP disclosed
WO-2010062848-A1 SUBSTITUTED PYRAZOLE COMPOUNDS MIKANA THERAPEUTICS, INC. (US) 2010-06-03 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 (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-20110318393-A1 Substituted Pyrazole Compounds AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885NTRK1 1683/4885

“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.