SCHEMBL231104

SCHEMBL231104

Nc1ncc(C(=O)c2ccccc2Cl)s1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 15/20 0.60
MAPK12 P53778 15/20 0.60
MAPK11 Q15759 15/20 0.60
MAPK14 Q16539 15/20 0.60
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.46
RORB Q92753 2/20 0.46

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
SCHEMBL4600690 0.83 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL15672439 0.81 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL12745908 0.79 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL2202210 0.78 LMNA (0.50) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6319469 0.77 NPC1 (0.63) MAPK13MAPK12MAPK11MAPK14CYP1A2
Hydrochloric Acid SCHEMBL10333813 0.74 ALDH1A1 (0.50) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5564699 0.74 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5568725 0.74 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL19360687 0.74 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL5633659 0.74 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219709-B1 INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-03-18 EP disclosed
US-9856248-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-01-02 US disclosed
EP-3219709-A1 INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-20 EP disclosed
EP-3219709-A1 INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-20 EP disclosed
US-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2017-06-22 US disclosed
US-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2017-06-22 US disclosed
US-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2017-06-22 US disclosed
EP-1716122-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-04-19 EP disclosed
EP-1716122-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-04-19 EP disclosed
US-9550761-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-01-24 US disclosed
CN-1938279-A Modulators of atp-binding cassette transporters VERTEX PHARMA (US) 2007-03-28 CN disclosed
WO-2007021982-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-22 WO disclosed
WO-2007021982-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-22 WO disclosed
CN-1898221-A Modulators of atp-binding cassette transporters VERTEX PHARMA (US) 2007-01-17 CN disclosed
EP-1716122-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-11-02 EP disclosed
EP-1664006-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-06-07 EP disclosed
US-20060052358-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-03-09 US disclosed
WO-2005075435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-08-18 WO disclosed
US-20050176789-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-08-11 US disclosed
WO-2005026137-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-24 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-20170174675-A9 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1G, SCNN1B MAPK13 3897/4885MAPK12 3053/4885MAPK11 3654/4885
US-20050176789-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCF1 MAPK13 4294/4885MAPK12 3674/4885MAPK11 4239/4885
US-20060052358-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders CFTR, ABCC2, ABCC4 MAPK13 4298/4885MAPK12 3724/4885MAPK11 4477/4885

“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.