SCHEMBL4897554

SCHEMBL4897554

O=C(Nc1cccc(Nc2nccc(-c3ccc(-n4ccnc4)cc3)n2)c1)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.72
BCR P11274 14/20 0.72
PDGFRB P09619 11/20 0.72
PDGFRA P16234 11/20 0.72
SRC P12931 8/20 0.72
PRKCA P17252 8/20 0.72
PRKCD Q05655 4/20 0.72
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
PRKD1 Q15139 1/20 0.66
ABL2 P42684 2/20 0.60
JAK2 O60674 1/20 0.60
IKBKB O14920 1/20 0.54
EGFR P00533 2/20 0.53

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
SCHEMBL4903381 0.90 ABL1 (0.58) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL4891653 0.89 PDGFRA (0.70) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL4903100 0.89 JAK2 (0.59) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL4903263 0.89 ABL1 (0.69) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL4903369 0.86 ABL1 (0.71) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL4899601 0.86 ABL1 (0.58) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL4902560 0.86 ABL1 (0.72) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL4892497 0.85 JAK2 (0.55) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL1522 0.85 ABL1 (1.00) ABL1BCRPDGFRBPDGFRASRC
SCHEMBL4902199 0.84 ABL1 (0.63) ABL1BCRPDGFRBPDGFRASRC

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 ABL1 2843/4885BCR 2315/4885PDGFRB 299/4885

“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.