SCHEMBL4738297

SCHEMBL4738297

Oc1ccc(Nc2nccc(-c3cccc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 4/20 0.68
▸ CLK1 P49759 1/20 0.57
▸ CLK2 P49760 1/20 0.57
▸ DYRK1A Q13627 1/20 0.57
▸ CLK4 Q9HAZ1 1/20 0.57
▸ DYRK1B Q9Y463 1/20 0.57
▸ SYK P43405 5/20 0.56
▸ KMO O15229 1/20 0.54
▸ MTOR P42345 1/20 0.53
▸ SMG1 Q96Q15 1/20 0.53
▸ GSK3B P49841 4/20 0.53
▸ AURKA O14965 4/20 0.53
▸ CDK2 P24941 1/20 0.51

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
SCHEMBL2944816 0.91 CLK1 (0.60) PLK1CLK1CLK2DYRK1ACLK4
SCHEMBL4737084 0.89 SYK (0.62) PLK1CLK1CLK2DYRK1ACLK4
SCHEMBL27110252 0.88 CLK1 (0.66) PLK1CLK1CLK2DYRK1ACLK4
SCHEMBL30847409 0.88 CLK1 (0.66) PLK1CLK1CLK2DYRK1ACLK4
SCHEMBL27115596 0.87 SYK (0.65) PLK1CLK1CLK2DYRK1ACLK4
SCHEMBL4786087 0.84 PLK1 (0.78) PLK1SYKAURKACDK2
SCHEMBL4737520 0.84 PLK1 (0.73) PLK1SYKKMOAURKACDK2
SCHEMBL4736449 0.83 SYK (0.60) PLK1CLK1CLK2DYRK1ACLK4
SCHEMBL27116471 0.83 CLK1 (0.66) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL2955416 0.82 GSK3B (0.57) PLK1CLK1CLK2DYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 — — US claimed
WO-2008065155-A1 CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-05 — — WO claimed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 — — US claimed
JP-2007500179-A — — 2007-01-11 — — JP claimed
CN-1860104-A 2-aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LTD (GB) 2006-11-08 — — CN claimed
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 — — EP claimed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 — — WO claimed
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 — — US disclosed
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 — — US disclosed
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 — — US disclosed
WO-2008065155-A1 CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-05 — — WO disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 — — US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 — — US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 — — US disclosed
CN-1860104-A 2-aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LTD (GB) 2006-11-08 — — CN disclosed
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 — — EP disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 — — WO disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 — — 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 (2 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-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors GRK3, NCOR1, GRM3 PLK1 1603/4885CLK1 1830/4885CLK2 1318/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 PLK1 3544/4885CLK1 4199/4885CLK2 3473/4885

“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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