SCHEMBL1425328

SCHEMBL1425328

Cc1cc(Br)sc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 12/20 0.54
CYP3A4 P08684 7/20 0.54
CYP2E1 P05181 5/20 0.54
CYP2C9 P11712 5/20 0.54
CYP2B6 P20813 5/20 0.54
CYP2D6 P10635 4/20 0.54
CYP2C19 P33261 4/20 0.54
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALK Q9UM73 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL12195715 0.86 CYP2A6 (0.57) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL17060261 0.83 CYP2A6 (0.57) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL24318644 0.81 CYP2A6 (0.50) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL1425928 0.79 KDM4E (0.45) CYP2A6CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL22300075 0.79 ALOX5 (0.44) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL14039824 0.75 ESR1 (0.31) CYP3A4CYP2C9CYP2C19CYP1A2KDM4E
SCHEMBL6741567 0.74 CYP2A6 (0.59) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL15262718 0.72 CYP2A6 (0.58) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL17376763 0.71 CYP2A6 (0.47) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6
SCHEMBL3606167 0.70 CYP2A6 (1.00) CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481524-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-8481524-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-8481524-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
EP-2205589-B1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-03-23 EP disclosed
EP-2205589-B1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-03-23 EP disclosed
CN-101990538-A C-met protein kinase inhibitors VERTEX PHARMA 2011-03-23 CN disclosed
EP-2205589-A2 C-MET PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-07-14 EP disclosed
WO-2009045992-A2 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-09 WO disclosed
WO-2009045992-A2 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-09 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 (1 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-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 CYP2A6 4181/4885CYP3A4 4344/4885CYP2E1 3783/4885

“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.