SCHEMBL4831176

SCHEMBL4831176

Oc1cnc2[nH]cc(-c3oncc3-c3cccc(Cl)c3Cl)c2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.39
CLK1 P49759 3/20 0.39
DYRK2 Q92630 3/20 0.39
DYRK1B Q9Y463 3/20 0.39
JAK2 O60674 1/20 0.39
CDC7 O00311 1/20 0.38
PTPN11 Q06124 2/20 0.36
KIT P10721 1/20 0.35
AXL P30530 1/20 0.35
CDK8 P49336 1/20 0.35
TNIK Q9UKE5 1/20 0.35

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
SCHEMBL4829343 0.85 RPS6KA5 (0.49) DYRK1ADYRK1BJAK2CDC7CDK8
SCHEMBL4829524 0.84 NTRK1 (0.42) DYRK1ACLK1JAK2KITAXL
SCHEMBL8290894 0.83 RPS6KA5 (0.45) DYRK1ADYRK1BJAK2CDC7PTPN11
SCHEMBL4831134 0.82 DYRK1A (0.42) DYRK1ACLK1DYRK2DYRK1BCDC7
SCHEMBL4832756 0.81 NTRK1 (0.53) DYRK1ACLK1KITAXLCDK8
SCHEMBL8290891 0.78 IKBKE (0.35) DYRK1ADYRK1BCDC7PTPN11CDK8
SCHEMBL14382388 0.78 DYRK1B (0.35) DYRK1ACLK1DYRK2DYRK1BJAK2
SCHEMBL8290062 0.76 PTPN11 (0.40) PTPN11
SCHEMBL8290076 0.74 DYRK1A (0.36) DYRK1ADYRK1BJAK2PTPN11
SCHEMBL4831120 0.74 RPS6KA5 (0.50) DYRK1ADYRK1BCDC7CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
EP-1664043-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-06-07 EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 DYRK1A 832/4885CLK1 444/4885DYRK2 716/4885

“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.