SCHEMBL4903229

SCHEMBL4903229

O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccc2cccnc2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 20/20 0.76
BCR P11274 18/20 0.76
SRC P12931 11/20 0.76
PDGFRB P09619 10/20 0.70
PDGFRA P16234 10/20 0.70
PRKCA P17252 8/20 0.70
PRKCD Q05655 5/20 0.70
PRKD3 O94806 1/20 0.68
PRKCG P05129 1/20 0.68
PRKCB P05771 1/20 0.68
PRKCH P24723 1/20 0.68
PRKCI P41743 1/20 0.68
PRKCE Q02156 1/20 0.68
PRKCQ Q04759 1/20 0.68
PRKCZ Q05513 1/20 0.68
PRKD1 Q15139 1/20 0.68
ABL2 P42684 1/20 0.65
EGFR P00533 2/20 0.61
SYK P43405 1/20 0.56
PRKACA P17612 1/20 0.56

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
SCHEMBL4905823 0.89 ABL1 (0.63) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL4891578 0.87 ABL1 (0.72) ABL1BCRPDGFRBPDGFRAPRKCA
SCHEMBL1442 0.87 ABL1 (1.00) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL4904999 0.86 ABL1 (0.73) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL5775246 0.85 ABL1 (0.62) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL1522 0.82 ABL1 (1.00) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL5774069 0.82 ABL1 (0.58) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL9197 0.81 ABL1 (1.00) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL1430 0.81 ABL1 (1.00) ABL1BCRSRCPDGFRBPDGFRA
SCHEMBL10208 0.81 ABL1 (0.82) ABL1BCRSRCPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP ABL1 2843/4885BCR 2315/4885SRC 3368/4885

“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.