SCHEMBL3711976

SCHEMBL3711976

O=Cc1ccc2c(-c3cnc4ccccc4c3)n[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.58
PIM1 P11309 2/20 0.49
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
PDGFRB P09619 4/20 0.43
PDGFRA P16234 4/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
LRRK2 Q5S007 1/20 0.43
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
BMPR1B O00238 1/20 0.42
PIK3C2G O75747 1/20 0.42
CDKL5 O76039 1/20 0.42
TYK2 P29597 1/20 0.42
CLK2 P49760 1/20 0.42
DYRK1A Q13627 1/20 0.42
STK32B Q9NY57 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
IRAK3 Q9Y616 1/20 0.42

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
SCHEMBL17179205 0.81 PIM1 (0.60) TTKPIM1PIM3PIM2PDGFRB
SCHEMBL12848216 0.79 PDGFRB (0.43) PIM1PIM3PIM2PDGFRBMTOR
SCHEMBL3787845 0.79 PDGFRB (0.43) PIM1PIM3PIM2PDGFRBMTOR
SCHEMBL3787836 0.79 PDGFRB (0.43) PIM1PIM3PIM2PDGFRBMTOR
SCHEMBL27558691 0.75 PIM1 (0.54) TTKPIM1PIM3PIM2PDGFRB
SCHEMBL3718413 0.74 ITK (0.68) TTKKIF11ITKCHEK1
SCHEMBL3721742 0.74 TTK (0.72) TTKPIM1PIM3PIM2LRRK2
SCHEMBL3711726 0.74 TTK (1.00) TTKPIM1PIM3PIM2LRRK2
SCHEMBL3709994 0.73 TTK (0.70) TTKPIM1MAP2K4KIF11CHEK1
SCHEMBL6524759 0.72 TTK (0.58) TTKMAP2K4

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 6 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
EP-2235004-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLMONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER University Health Network (CA) 2010-10-06 EP disclosed
WO-2009079767-A9 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-10-01 WO disclosed
WO-2009079767-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-07-02 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-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 TTK 421/4885PIM1 753/4885PIM3 711/4885

“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.