SCHEMBL6521241

SCHEMBL6521241

CN1CCN(c2ccc(-c3n[nH]c4ccc(C=O)cc34)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.53
KDR P35968 2/20 0.53
ETV6 P41212 2/20 0.53
NTRK1 P04629 6/20 0.49
AURKA O14965 2/20 0.48
PLK4 O00444 2/20 0.48
FLT3 P36888 2/20 0.48
MAP4K1 Q92918 1/20 0.47
ALK Q9UM73 1/20 0.46
ACVR1 Q04771 1/20 0.46
TDO2 P48775 1/20 0.46
JAK2 O60674 1/20 0.46

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
SCHEMBL585871 0.91 PLK4 (0.54) LRRK2KDRETV6AURKAPLK4
SCHEMBL3793333 0.81 PLK4 (0.51) LRRK2KDRETV6NTRK1AURKA
SCHEMBL12848144 0.81 PLK4 (0.51) LRRK2KDRETV6NTRK1AURKA
SCHEMBL3793328 0.81 PLK4 (0.51) LRRK2KDRETV6NTRK1AURKA
SCHEMBL19928100 0.80 PLK4 (0.55) LRRK2KDRETV6NTRK1AURKA
SCHEMBL3717265 0.79 TTK (0.52) LRRK2KDRAURKAPLK4FLT3
SCHEMBL3242110 0.78 ALDH1A1 (0.55) ALKTDO2
SCHEMBL3710632 0.78 TTK (0.52) LRRK2KDRETV6PLK4FLT3
SCHEMBL14208177 0.78 ALDH1A1 (0.48) LRRK2MAP4K1JAK2
SCHEMBL19928117 0.77 PLK4 (0.58) LRRK2KDRETV6NTRK1AURKA

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-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
CN-101970426-A Indazolyl-, benzimidazolyl-, benzotriazolyl-substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIV HEALTH NETWORK 2011-02-09 CN 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 LRRK2 254/4885KDR 679/4885ETV6 1257/4885

“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.