SCHEMBL4736449

SCHEMBL4736449

Oc1cccc(-c2ccnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 9/20 0.60
▸ SRC P12931 6/20 0.58
▸ ZAP70 P43403 6/20 0.58
▸ CDK2 P24941 3/20 0.58
▸ PLK1 P53350 4/20 0.55
▸ CLK1 P49759 3/20 0.54
▸ CLK2 P49760 2/20 0.54
▸ DYRK1A Q13627 2/20 0.54
▸ CLK4 Q9HAZ1 2/20 0.54
▸ DYRK1B Q9Y463 2/20 0.54
▸ KDR P35968 1/20 0.51
▸ MTOR P42345 1/20 0.51
▸ SMG1 Q96Q15 1/20 0.51
▸ AURKA O14965 2/20 0.50

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
SCHEMBL27115596 0.92 SYK (0.65) SYKSRCZAP70CDK2PLK1
SCHEMBL4737084 0.87 SYK (0.62) SYKSRCZAP70CDK2PLK1
SCHEMBL4737537 0.83 SYK (0.67) SYKSRCCDK2PLK1KDR
SCHEMBL4738297 0.83 PLK1 (0.68) SYKCDK2PLK1CLK1CLK2
SCHEMBL27116530 0.82 PLK1 (0.68) SYKSRCCDK2PLK1KDR
SCHEMBL4786087 0.82 PLK1 (0.78) SYKCDK2PLK1KDRAURKA
SCHEMBL30847409 0.81 CLK1 (0.66) SYKSRCZAP70CDK2PLK1
SCHEMBL27116471 0.81 CLK1 (0.66) SRCCDK2CLK1CLK2DYRK1A
SCHEMBL27110252 0.81 CLK1 (0.66) SYKSRCZAP70CDK2PLK1
SCHEMBL4732256 0.80 PLK1 (0.59) SYKSRCCDK2PLK1

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 13 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
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
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
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
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 SYK 1865/4885SRC 713/4885ZAP70 2765/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 SYK 1957/4885SRC 2268/4885ZAP70 3883/4885

“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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