SCHEMBL2540294

SCHEMBL2540294

COCCOc1ncnc2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.53
JAK2 O60674 5/20 0.50
JAK3 P52333 3/20 0.49
TTBK1 Q5TCY1 3/20 0.46
TTBK2 Q6IQ55 3/20 0.46
BRD4 O60885 1/20 0.43
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
ABL1 P00519 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL21262326 0.83 TRPA1 (0.51) TRPA1JAK2JAK3TTBK1TTBK2
SCHEMBL18680737 0.83 TRPA1 (0.51) TRPA1JAK2JAK3TTBK1TTBK2
SCHEMBL1086048 0.81 TTBK1 (0.60) TRPA1JAK2JAK3TTBK1TTBK2
SCHEMBL22569504 0.81 TRPA1 (0.50) TRPA1JAK2JAK3TTBK1TTBK2
SCHEMBL1085687 0.81 TRPA1 (0.60) TRPA1JAK2JAK3TTBK1TTBK2
SCHEMBL12561811 0.77 TRPA1 (0.53) TRPA1JAK2JAK3TTBK1TTBK2
SCHEMBL16266488 0.75 LDHA (0.58) JAK2TTBK1TTBK2CLK4MKNK1
SCHEMBL12605521 0.74 CCNK (0.51) JAK2JAK3BRD4CCNKCDK12
SCHEMBL12561813 0.73 JAK3 (0.58) TRPA1JAK2JAK3GSK3BCDK7
SCHEMBL16266428 0.73 LMNA (0.56) JAK2TTBK1TTBK2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
EP-2560972-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-09-20 EP disclosed
EP-2560972-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-09-20 EP disclosed
US-9682981-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-20 US disclosed
US-9682981-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-20 US disclosed
US-9682981-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-20 US disclosed
US-9079910-B2 5-(1,2,3-triazol-4-yl)-7H-pyrrolo[2,3-D]pyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-14 US disclosed
US-9079910-B2 5-(1,2,3-triazol-4-yl)-7H-pyrrolo[2,3-D]pyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-14 US disclosed
US-20130289017-A1 5 (1,2,3-TRIAZOL-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
US-20130289017-A1 5 (1,2,3-TRIAZOL-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
EP-2560972-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-02-27 EP disclosed
WO-2012095142-A1 5-([1,2,3]TRIAZOLE-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-07-19 WO disclosed
WO-2012095142-A1 5-([1,2,3]TRIAZOLE-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-07-19 WO disclosed
WO-2011133637-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-10-27 WO disclosed
WO-2011133637-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-10-27 WO disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 US disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 US disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 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-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC TRPA1 1579/4885JAK2 90/4885JAK3 137/4885
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 TRPA1 1706/4885JAK2 70/4885JAK3 145/4885
US-20130289017-A1 5 (1,2,3-TRIAZOL-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES PDK1, PDK2, PDK3 TRPA1 3453/4885JAK2 284/4885JAK3 793/4885

“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.