SCHEMBL10125123

SCHEMBL10125123

O=S(=O)(c1ccccc1)n1cc(-c2c(Cl)cnc3[nH]ccc23)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.51
▸ DRD2 P14416 4/20 0.51
▸ HTR2A P28223 3/20 0.51
▸ HTR7 P34969 3/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ CCNK O75909 1/20 0.50
▸ CDK12 Q9NYV4 1/20 0.50
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CA12 O43570 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ JAK1 P23458 1/20 0.43
▸ PDPK1 O15530 1/20 0.42

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
SCHEMBL14365336 0.77 HTR6 (0.58) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL29429815 0.74 HTR6 (0.56) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL6039811 0.74 HTR6 (0.56) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL15648458 0.73 HTR6 (0.55) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL19054640 0.73 HTR6 (0.58) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL724278 0.72 HTR6 (0.61) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL29728507 0.72 HTR6 (0.61) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL19054622 0.72 HTR6 (0.53) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL1724114 0.72 CCNK (0.56) CCNKCDK12CDK8JAK1
SCHEMBL28862174 0.70 HTR6 (0.53) HTR6DRD2HTR2AHTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 — — US disclosed
US-8921376-B2 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-30 — — US disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 — — EP disclosed
EP-2354140-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 — — EP disclosed
EP-2354139-A1 Pyrrolopyridines useful as inhibitors of protein kinase Vertex Pharmaceuticals Incorporated (US) 2011-08-10 — — EP disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 — — US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 — — 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 (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-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 HTR6 3963/4885DRD2 4378/4885HTR2A 4029/4885

“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.

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