SCHEMBL3414788

SCHEMBL3414788

CN1CCN(c2ccc(/C=C/c3n[nH]c4cc(C=C5C(=O)Nc6ccccc65)ccc34)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 5/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AURKA O14965 2/20 0.45
FLT3 P36888 2/20 0.45
PDGFRB P09619 3/20 0.44
ERBB2 P04626 2/20 0.44
FGFR1 P11362 2/20 0.44
RET P07949 1/20 0.44
GSK3B P49841 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
AURKB Q96GD4 3/20 0.41

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
SCHEMBL6531520 1.00 PLK4 (0.58) PLK4CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL6531516 1.00 PLK4 (0.58) PLK4CYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL6530399 0.99 PLK4 (0.57) PLK4CYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL6530403 0.99 PLK4 (0.57) PLK4CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL586527 0.89 PLK4 (0.52) PLK4CYP3A4CYP2C9CYP2C19AURKA
SCHEMBL2548126 0.89 PLK4 (0.52) PLK4CYP3A4CYP2C9CYP2C19AURKA
SCHEMBL2548124 0.89 PLK4 (0.52) PLK4CYP3A4CYP2C9CYP2C19AURKA
Hydrochloric Acid SCHEMBL2549114 0.88 PLK4 (0.51) PLK4CYP3A4CYP2C9CYP2C19AURKA
Hydrochloric Acid SCHEMBL589914 0.88 PLK4 (0.51) PLK4CYP3A4CYP2C9CYP2C19AURKA
Hydrochloric Acid SCHEMBL2549115 0.88 PLK4 (0.51) PLK4CYP3A4CYP2C9CYP2C19AURKA

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 15 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-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-20150182504-A1 METHODS OF TARGETING PTEN MUTANT DISEASES AND COMPOSITIONS THEREFOR UNIVERSITY HEALTH NETWORK (CA) 2015-07-02 US disclosed
US-8933070-B2 Methods of targeting PTEN mutant diseases and compositions therefor UNIVERSITY HEALTH NETWORK (CA) 2015-01-13 US disclosed
US-8933070-B2 Methods of targeting PTEN mutant diseases and compositions therefor UNIVERSITY HEALTH NETWORK (CA) 2015-01-13 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-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-20130123273-A1 METHODS OF TARGETING PTEN MUTANT DISEASES AND COMPOSITIONS THEREFOR UNIVERSITY HEALTH NETWORK (CA) 2013-05-16 US disclosed
WO-2012000103-A1 METHODS OF TARGETING PTEN MUTANT DISEASES AND COMPOSITIONS THEREFOR UNIVERSITY HEALTH NETWORK (CA) 2012-01-05 WO 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
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
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 PLK4 23/4885CYP3A4 4869/4885CYP2C9 4882/4885
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 PLK4 464/4885CYP3A4 3081/4885CYP2C9 2995/4885
US-20150182504-A1 METHODS OF TARGETING PTEN MUTANT DISEASES AND COMPOSITIONS THEREFOR PTEN, PIK3CA, HRAS PLK4 139/4885CYP3A4 4872/4885CYP2C9 4881/4885

“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.