SCHEMBL4004743

SCHEMBL4004743

O=C(Nc1ccccc1)c1ccc(-c2ccnc(Nc3ccccc3)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMK2D Q13557 5/20 0.81
▸ JAK2 O60674 3/20 0.73
▸ JAK3 P52333 1/20 0.73
▸ MAPK8 P45983 3/20 0.67
▸ MAPK10 P53779 1/20 0.67
▸ ABL1 P00519 7/20 0.66
▸ BCR P11274 6/20 0.66
▸ PRKCA P17252 4/20 0.66
▸ PRKCD Q05655 4/20 0.66
▸ PDGFRB P09619 4/20 0.66
▸ PDGFRA P16234 4/20 0.66
▸ SRC P12931 3/20 0.66
▸ PRKD3 O94806 1/20 0.66
▸ PRKCG P05129 1/20 0.66
▸ PRKCB P05771 1/20 0.66
▸ PRKCH P24723 1/20 0.66
▸ PRKCI P41743 1/20 0.66
▸ PRKCE Q02156 1/20 0.66
▸ PRKCQ Q04759 1/20 0.66
▸ PRKCZ Q05513 1/20 0.66

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
SCHEMBL14021038 0.93 CAMK2D (0.71) CAMK2DJAK2JAK3MAPK8MAPK10
SCHEMBL4903404 0.89 JAK2 (0.68) CAMK2DJAK2JAK3MAPK8MAPK10
SCHEMBL14021028 0.87 PIK3CA (0.64) CAMK2DJAK2JAK3MAPK8MAPK10
SCHEMBL19221758 0.85 CAMK2D (0.74) CAMK2DJAK2JAK3MAPK8MAPK10
SCHEMBL4903275 0.85 ABL1 (0.81) JAK2ABL1BCRPRKCAPRKCD
SCHEMBL4378752 0.84 JAK2 (1.00) CAMK2DJAK2JAK3MAPK8ABL1
SCHEMBL4383820 0.84 JAK2 (1.00) CAMK2DJAK2JAK3MAPK8MAPK10
SCHEMBL14348407 0.84 CAMK2D (0.72) CAMK2DJAK2JAK3MAPK8MAPK10
SCHEMBL13911480 0.84 CAMK2D (0.68) CAMK2DJAK2JAK3MAPK8MAPK10
SCHEMBL14021033 0.83 AURKA (0.62) CAMK2DJAK2JAK3MAPK8MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605766-A Pyrimidine derivatives and they are as the purposes of kinase inhibitor CGI PHARMACEUTICALS INC (US) 2009-12-16 — — CN claimed
EP-2069314-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 — — EP claimed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 — — US claimed
WO-2008033834-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 — — WO claimed
CN-101605766-A Pyrimidine derivatives and they are as the purposes of kinase inhibitor CGI PHARMACEUTICALS INC (US) 2009-12-16 — — CN disclosed
EP-2069314-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 — — EP disclosed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 — — US disclosed
WO-2008033834-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 — — WO disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 — — US disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 — — 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-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, TK1 CAMK2D 1585/4885JAK2 82/4885JAK3 114/4885

“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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