SCHEMBL4781572

SCHEMBL4781572

c1cc(Cn2cncn2)cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.64
▸ MAPK8 P45983 4/20 0.58
▸ MAPK10 P53779 4/20 0.58
▸ JAK3 P52333 4/20 0.56
▸ JAK1 P23458 2/20 0.56
▸ TYK2 P29597 2/20 0.56
▸ CAMK2D Q13557 1/20 0.54
▸ MAPK9 P45984 1/20 0.52
▸ SMG1 Q96Q15 1/20 0.52
▸ ACVR1 Q04771 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
SCHEMBL4733854 0.85 PLK1 (0.58) JAK2MAPK10JAK3
SCHEMBL4904235 0.85 MAPK8 (0.70) JAK2MAPK8MAPK10JAK3JAK1
SCHEMBL13169558 0.84 PLK4 (0.65) —
SCHEMBL3756259 0.83 MAPK10 (0.73) JAK2MAPK8MAPK10JAK3JAK1
SCHEMBL4738283 0.82 MEN1 (0.59) MAPK10ACVR1
SCHEMBL4735369 0.82 MAPK10 (0.49) JAK2MAPK10JAK3CAMK2D
SCHEMBL4734676 0.81 JAK2 (0.71) JAK2MAPK8MAPK10JAK3JAK1
SCHEMBL4803114 0.80 PLK1 (0.64) MAPK10
SCHEMBL4909103 0.80 PLK1 (0.50) JAK2MAPK10JAK3CAMK2D
SCHEMBL8293172 0.80 ABL1 (0.59) JAK2MAPK10JAK3CAMK2D

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 12 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
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
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 JAK2 263/4885MAPK8 182/4885MAPK10 64/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 JAK2 3086/4885MAPK8 4409/4885MAPK10 3727/4885

“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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