SCHEMBL6532066

SCHEMBL6532066

CN1CCN(c2ncc(-c3n[nH]c4cc(/C=C5\C(=O)Nc6ccc(OC(F)(F)F)cc65)ccc34)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.46
RET P07949 1/20 0.43
FLT3 P36888 6/20 0.40
PLK4 O00444 5/20 0.40
AURKB Q96GD4 4/20 0.40
KDR P35968 1/20 0.40
TRPA1 O75762 1/20 0.40
MAP4K1 Q92918 1/20 0.39
AURKA O14965 2/20 0.39
LRRK2 Q5S007 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PAK1 Q13153 1/20 0.37
CES1 P23141 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL15849068 1.00 ABL1 (0.46) ABL1RETFLT3PLK4AURKB
SCHEMBL6532074 1.00 ABL1 (0.46) ABL1RETFLT3PLK4AURKB
SCHEMBL3711282 0.91 FLT3 (0.49) RETFLT3PLK4AURKBKDR
SCHEMBL3711285 0.91 FLT3 (0.49) RETFLT3PLK4AURKBKDR
SCHEMBL12795424 0.86 PLK4 (0.42) RETFLT3PLK4AURKBKDR
SCHEMBL589513 0.82 PLK4 (0.59) RETFLT3PLK4AURKBKDR
SCHEMBL2542893 0.82 PLK4 (0.59) RETFLT3PLK4AURKBKDR
SCHEMBL585823 0.82 PLK4 (0.59) RETFLT3PLK4AURKBKDR
SCHEMBL9946215 0.78 PLK4 (0.53) FLT3PLK4AURKBKDRAURKA
SCHEMBL13768508 0.77 PLK4 (0.50) FLT3PLK4AURKBKDRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765748-B2 Indazolyl, benzimidazolyl, benzotriazolyl substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK 2011-03-17 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 (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-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 ABL1 2/4885RET 234/4885FLT3 221/4885

“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.