SCHEMBL6531777

SCHEMBL6531777

O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc2c(-c3cccnc3)n[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.57
LRRK2 Q5S007 5/20 0.52
TGM2 P21980 1/20 0.51
PSEN1 P49768 3/20 0.50
PSEN2 P49810 3/20 0.50
APH1B Q8WW43 3/20 0.50
NCSTN Q92542 3/20 0.50
APH1A Q96BI3 3/20 0.50
PSENEN Q9NZ42 3/20 0.50
RAF1 P04049 2/20 0.50
PIK3C3 Q8NEB9 1/20 0.50
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
AXL P30530 1/20 0.47
GSK3B P49841 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
ABL1 P00519 1/20 0.46
RET P07949 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
SCHEMBL12848346 1.00 TTK (0.57) TTKLRRK2TGM2PSEN1PSEN2
SCHEMBL6531780 1.00 TTK (0.57) TTKLRRK2TGM2PSEN1PSEN2
SCHEMBL3707158 0.89 TTK (0.60) TTKLRRK2TGM2PSEN1PSEN2
SCHEMBL3784202 0.89 TTK (0.60) TTKLRRK2TGM2PSEN1PSEN2
SCHEMBL3707160 0.89 TTK (0.60) TTKLRRK2TGM2PSEN1PSEN2
SCHEMBL12848141 0.86 TTK (0.54) TTKLRRK2RAF1PIK3C3JAK2
SCHEMBL13080521 0.80 LRRK2 (0.71) LRRK2TGM2PSEN1PSEN2APH1B
SCHEMBL27613119 0.80 LRRK2 (0.71) LRRK2TGM2PSEN1PSEN2APH1B
SCHEMBL3796767 0.79 MAPT (0.50) TTKPSEN1PSEN2APH1BNCSTN
SCHEMBL12848632 0.79 MAPT (0.50) TTKPSEN1PSEN2APH1BNCSTN

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 TTK 421/4885LRRK2 254/4885TGM2 3236/4885

“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.