SCHEMBL4891528

SCHEMBL4891528

COc1cc(Nc2nccc(-c3ccc(N(C)C)nc3)n2)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.69
PRKD3 O94806 4/20 0.69
PRKCG P05129 4/20 0.69
PRKCB P05771 4/20 0.69
LCK P06239 4/20 0.69
PRKCA P17252 4/20 0.69
PRKCH P24723 4/20 0.69
PRKCI P41743 4/20 0.69
PRKCE Q02156 4/20 0.69
PRKCQ Q04759 4/20 0.69
PRKCZ Q05513 4/20 0.69
PRKCD Q05655 4/20 0.69
PRKD1 Q15139 4/20 0.69
EGFR P00533 3/20 0.67
CDK2 P24941 2/20 0.67
JAK2 O60674 1/20 0.67
PIK3CA P42336 1/20 0.67
PIK3CB P42338 1/20 0.67
PIK3CG P48736 1/20 0.67
PTK2B Q14289 1/20 0.67

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
SCHEMBL6978350 0.88 ZAP70 (0.61) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6968545 0.85 ZAP70 (0.60) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6970107 0.85 ZAP70 (0.58) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL2233317 0.84 ZAP70 (0.69) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6952024 0.84 EGFR (0.77) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6979315 0.83 CDK2 (0.79) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6976605 0.81 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL4732945 0.81 PIK3CA (0.80) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6974678 0.81 ZAP70 (0.79) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6977451 0.80 CDK2 (0.78) ZAP70PRKD3PRKCGPRKCBLCK

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 ZAP70 275/4885PRKD3 1034/4885PRKCG 2511/4885

“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.