SCHEMBL1726149

SCHEMBL1726149

Clc1cnc2[nH]ccc2c1C1=CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.51
JAK2 O60674 4/20 0.51
JAK1 P23458 4/20 0.51
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
AXL P30530 2/20 0.42
PRKCI P41743 2/20 0.42
TYMP P19971 2/20 0.36
AURKA O14965 2/20 0.34
TYK2 P29597 1/20 0.34
TTBK1 Q5TCY1 2/20 0.33
TTBK2 Q6IQ55 2/20 0.33
PRKCA P17252 1/20 0.33
KDR P35968 1/20 0.33
CSNK1D P48730 1/20 0.33
MAPK14 Q16539 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
F2RL1 P55085 1/20 0.32
HPGDS O60760 1/20 0.32

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
SCHEMBL1724112 0.96 JAK3 (0.57) JAK3JAK2JAK1CCNKCDK12
SCHEMBL12346320 0.76 CCNK (0.43) JAK3JAK2JAK1CCNKCDK12
SCHEMBL10125390 0.75 AXL (0.40) JAK3JAK2JAK1CCNKCDK12
SCHEMBL4062740 0.72 JAK3 (0.91) JAK3JAK2JAK1AURKAKDR
SCHEMBL1723802 0.72 JAK2 (0.55) JAK3JAK2JAK1CCNKCDK12
SCHEMBL1724114 0.71 CCNK (0.56) JAK3JAK2JAK1CCNKCDK12
SCHEMBL10125085 0.70 HPGDS (0.43) JAK3JAK2JAK1CCNKCDK12
SCHEMBL1356886 0.69 PRKCI (0.67) JAK3JAK2JAK1CCNKCDK12
SCHEMBL10124885 0.69 CCNK (0.47) JAK3JAK2JAK1CCNKCDK12
SCHEMBL14511036 0.69 CCNK (0.47) JAK3JAK2JAK1CCNKCDK12

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 11 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
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
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
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 JAK3 3/4885JAK2 1/4885JAK1 2/4885

“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.