SCHEMBL3715420

SCHEMBL3715420

COc1ccc2c(c1)/C(=C\c1ccc3c(/C=C/c4cccc[n+]4[O-])n[nH]c3c1)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.44
RET P07949 6/20 0.43
TLK2 Q86UE8 4/20 0.43
PDPK1 O15530 2/20 0.43
NTRK1 P04629 5/20 0.42
NTRK2 Q16620 4/20 0.42
CDK2 P24941 3/20 0.42
KDR P35968 3/20 0.42
CDK7 P50613 3/20 0.42
CDK1 P06493 2/20 0.42
MAPK1 P28482 2/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
CDK9 P50750 2/20 0.42
CDK5 Q00535 2/20 0.42
CCNE1 P24864 2/20 0.42
FLT3 P36888 2/20 0.42
AURKB Q96GD4 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
PDGFRB P09619 2/20 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
SCHEMBL3715424 1.00 LRRK2 (0.44) LRRK2RETTLK2PDPK1NTRK1
SCHEMBL3715425 1.00 LRRK2 (0.44) LRRK2RETTLK2PDPK1NTRK1
SCHEMBL12848345 0.90 LRRK2 (0.46) LRRK2RETTLK2PDPK1NTRK1
SCHEMBL6523239 0.86 LRRK2 (0.46) LRRK2RETTLK2PDPK1NTRK1
SCHEMBL6523233 0.86 LRRK2 (0.46) LRRK2RETTLK2PDPK1NTRK1
SCHEMBL6523237 0.86 LRRK2 (0.46) LRRK2RETTLK2PDPK1NTRK1
SCHEMBL3716487 0.83 TLK2 (0.48) LRRK2RETTLK2PDPK1NTRK1
SCHEMBL3716493 0.83 TLK2 (0.48) LRRK2RETTLK2PDPK1NTRK1
SCHEMBL6531026 0.83 TLK2 (0.48) LRRK2RETTLK2PDPK1NTRK1
SCHEMBL14950690 0.83 TLK2 (0.48) LRRK2RETTLK2PDPK1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9402828-B2 Methods of targeting PTEN mutant diseases and compositions therefor UNIVERSITY HEALTH NETWORK (CA) 2016-08-02 US disclosed
US-20150182504-A1 METHODS OF TARGETING PTEN MUTANT DISEASES AND COMPOSITIONS THEREFOR UNIVERSITY HEALTH NETWORK (CA) 2015-07-02 US disclosed
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-20130123273-A1 METHODS OF TARGETING PTEN MUTANT DISEASES AND COMPOSITIONS THEREFOR UNIVERSITY HEALTH NETWORK (CA) 2013-05-16 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
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 (3 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-20130123273-A1 METHODS OF TARGETING PTEN MUTANT DISEASES AND COMPOSITIONS THEREFOR PTEN, PIK3CA, HRAS LRRK2 521/4885RET 535/4885TLK2 457/4885
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 LRRK2 254/4885RET 234/4885TLK2 202/4885
US-20150182504-A1 METHODS OF TARGETING PTEN MUTANT DISEASES AND COMPOSITIONS THEREFOR PTEN, PIK3CA, HRAS LRRK2 324/4885RET 374/4885TLK2 694/4885

“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.