SCHEMBL2113503

SCHEMBL2113503

c1ccc(CNc2ncc(Cc3c[nH]c4ncncc34)cn2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.52
CYP3A4 P08684 6/20 0.52
CYP2C19 P33261 2/20 0.52
MET P08581 1/20 0.45
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
DYRK1A Q13627 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
CDC7 O00311 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
CSF1R P07333 1/20 0.40
KIT P10721 1/20 0.40
RECQL P46063 1/20 0.38
VNN1 O95497 2/20 0.37

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
SCHEMBL2113167 0.83 CYP3A4 (0.48) CYP2C9CYP3A4CYP2C19METCSF1R
SCHEMBL1267386 0.82 CYP2C9 (0.62) CYP2C9CYP3A4CYP2C19METHDAC3
SCHEMBL1883624 0.82 CYP3A4 (0.76) CYP2C9CYP3A4CYP2C19VNN1
SCHEMBL2113135 0.80 CYP3A4 (0.74) CYP2C9CYP3A4CYP2C19METGPR84
SCHEMBL2112311 0.79 CYP3A4 (0.61) CYP2C9CYP3A4CYP2C19METGPR84
SCHEMBL2112873 0.79 CYP3A4 (0.63) CYP2C9CYP3A4CYP2C19VNN1
SCHEMBL2110505 0.79 CYP3A4 (0.48) CYP2C9CYP3A4CYP2C19METGPR84
SCHEMBL2113983 0.78 CYP3A4 (0.57) CYP2C9CYP3A4CYP2C19CSF1RKIT
SCHEMBL2114408 0.78 CYP3A4 (0.50) CYP2C9CYP3A4CYP2C19METCSF1R
SCHEMBL2113695 0.77 CYP3A4 (0.75) CYP2C9CYP3A4CYP2C19DYRK1A

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-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US claimed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US claimed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US claimed
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 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 (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-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CYP2C9 2880/4885CYP3A4 3734/4885CYP2C19 3085/4885
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CYP2C9 2880/4885CYP3A4 3734/4885CYP2C19 3085/4885
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CYP2C9 2880/4885CYP3A4 3734/4885CYP2C19 3085/4885

“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.