SCHEMBL4901650

SCHEMBL4901650

O=C(CN1CCC(C(=O)O)CC1)Nc1cccc(Nc2nccc(-c3ccccn3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
SYK P43405 13/20 0.49
ABL1 P00519 4/20 0.47
BCR P11274 4/20 0.47
PRKCA P17252 2/20 0.47
SRC P12931 3/20 0.46
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46

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
SCHEMBL4900317 0.88 DRD2 (0.51) DRD2DRD4DRD3SYKKMT2A
SCHEMBL4901309 0.88 ABL1 (0.52) SYKABL1BCRPRKCASRC
SCHEMBL4903833 0.86 SYK (0.57) SYKABL1BCRHTT
SCHEMBL4903370 0.86 SYK (0.59) SYKABL1BCRSRCPDGFRB
SCHEMBL4900241 0.82 SYK (0.53) DRD2DRD4DRD3SYK
SCHEMBL4903752 0.80 PTK2 (0.56) DRD2DRD4DRD3SYK
SCHEMBL4900774 0.80 ABL1 (0.59) SYKABL1BCRPRKCASRC
SCHEMBL4893382 0.78 LMNA (0.50) DRD2DRD4DRD3SYKABL1
SCHEMBL4896995 0.78 JAK2 (0.60) SYK
SCHEMBL4899494 0.78 SYK (0.57) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP claimed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO claimed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP DRD2 1730/4885DRD4 2230/4885DRD3 2769/4885

“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.