SCHEMBL2060048

SCHEMBL2060048

O=C(O)c1cnc2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.54
KIT P10721 7/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
MGAM O43451 1/20 0.51
BRD4 O60885 1/20 0.49
RIPK1 Q13546 2/20 0.48
ULK1 O75385 2/20 0.47
PIK3CG P48736 1/20 0.47
CCNB2 O95067 2/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
LDHA P00338 1/20 0.45
DHODH Q02127 1/20 0.44
GSK3A P49840 1/20 0.44

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
SCHEMBL1780760 0.86 RIPK1 (0.61) HDAC6KITBRD4RIPK1ULK1
SCHEMBL1778117 0.86 HDAC6 (0.53) HDAC6KITBRD4RIPK1ULK1
SCHEMBL2060098 0.84 KIT (0.54) HDAC6KIT
SCHEMBL19029353 0.84 HDAC6 (0.78) HDAC6KITRIPK1ULK1
SCHEMBL15825371 0.82 KIT (0.67) KITCASP3SENP8SENP7SENP6
SCHEMBL29914066 0.82 KIT (0.50) HDAC6KITRIPK1
SCHEMBL15823383 0.82 KIT (0.50) HDAC6KITRIPK1
SCHEMBL15823444 0.80 KIT (0.70) KITULK1
SCHEMBL2060054 0.80 AKR1C3 (0.52) KITCASP3SENP8SENP7SENP6
SCHEMBL15825553 0.79 KIT (0.69) KITBRD4CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301280-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-05-28 US disclosed
US-10301280-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-05-28 US disclosed
EP-2935248-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-02-28 EP disclosed
EP-2935248-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-02-28 EP disclosed
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-12-07 US disclosed
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-12-07 US disclosed
US-9676748-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-13 US disclosed
US-9676748-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-13 US disclosed
EP-2935248-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2015-10-28 EP disclosed
US-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-07-31 US disclosed
WO-2014100620-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-06-26 WO disclosed
WO-2014100620-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-06-26 WO disclosed
EP-2081928-B1 Pyrrolo-pyridine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
CN-101600714-B Novel pyrindole kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-08-21 CN disclosed
US-8148361-B2 Kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20100041636-A1 NOVEL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
CN-101600714-A Novel kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-12-09 CN 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 (4 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-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA HDAC6 2929/4885KIT 1/4885CASP3 3208/4885
US-20100041636-A1 NOVEL KINASE INHIBITORS IGF1R, FGFR1, FLT1 HDAC6 997/4885KIT 203/4885CASP3 2766/4885
US-10301280-B2 Compounds and methods for kinase modulation, and indications therefor KIT, PRKCH, PRKACA HDAC6 2929/4885KIT 1/4885CASP3 3208/4885
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA HDAC6 2929/4885KIT 1/4885CASP3 3208/4885

“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.