SCHEMBL2544455

SCHEMBL2544455

COCCOc1ncnc2[nH]cc(I)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
CHEK1 O14757 2/20 0.49
CDK5 Q00535 2/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CHUK O15111 1/20 0.45
PDPK1 O15530 1/20 0.45
DYRK3 O43781 1/20 0.45
ROCK2 O75116 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
NTRK1 P04629 1/20 0.45
PRKCG P05129 1/20 0.45
INSR P06213 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CDK1 P06493 1/20 0.45
FES P07332 1/20 0.45
CSF1R P07333 1/20 0.45

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
SCHEMBL21246744 0.84 TRPA1 (0.49) TRPA1CHEK1CDK5CDC7PLK4
SCHEMBL12235957 0.83 TRPA1 (0.53) TRPA1CHEK1CDK5CDC7PLK4
SCHEMBL22569543 0.82 CHEK1 (0.50) TRPA1CHEK1CDK5CDC7PLK4
SCHEMBL2111843 0.82 CHEK1 (0.56) TRPA1CHEK1CDK5CDC7PLK4
SCHEMBL15550412 0.79 MAP3K7 (0.64) MAP3K7TAB1
SCHEMBL16912343 0.74 MAP3K7 (0.59) TRPA1CHEK1CDK1CDK2MAP3K7
SCHEMBL2537071 0.70 CHEK1 (0.61) TRPA1CHEK1CDK5PLK4ROCK2
SCHEMBL22912722 0.69 CHEK1 (0.66) TRPA1CHEK1CDK5CDC7PLK4
SCHEMBL2540294 0.69 TRPA1 (0.53) TRPA1CDK5PRKD3MAP4K4PAK4
SCHEMBL397485 0.68 CHEK1 (0.63) TRPA1CHEK1CDK5CDC7PLK4

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 27 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
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-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 1579/4885CHEK1 591/4885CDK5 468/4885
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 TRPA1 1706/4885CHEK1 651/4885CDK5 423/4885
US-20130289017-A1 5 (1,2,3-TRIAZOL-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES PDK1, PDK2, PDK3 TRPA1 3453/4885CHEK1 73/4885CDK5 52/4885

“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.