SCHEMBL1172780

SCHEMBL1172780

COc1cc(Nc2nc(N)c(-c3ccoc3)c(-c3ccoc3)n2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ FYN P06241 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ EGFR P00533 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ PTK2B Q14289 1/20 0.44
▸ PRKD3 O94806 2/20 0.43
▸ PRKCG P05129 2/20 0.43
▸ PRKCB P05771 2/20 0.43

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
SCHEMBL1222450 0.72 AURKA (0.51) AURKAAURKBKDRFYNMEN1
SCHEMBL13955883 0.70 IGF1R (0.59) AURKAAURKBKDREGFRCDK2
SCHEMBL1039755 0.70 MEN1 (0.50) AURKAAURKBKDRFYNMEN1
SCHEMBL4470281 0.69 IGF1R (0.61) AURKAAURKBKDREGFRCDK2
SCHEMBL4476945 0.68 IGF1R (0.60) AURKAAURKBKDREGFRCDK2
SCHEMBL6979315 0.68 CDK2 (0.79) AURKAAURKBEGFRCDK2JAK2
SCHEMBL6981443 0.68 MEN1 (0.58) AURKAAURKBKDRMEN1CYP1A2
SCHEMBL3991820 0.68 PLK1 (0.74) CDK2JAK2PRKD3PRKCGPRKCB
SCHEMBL1038450 0.67 KDR (0.48) AURKAAURKBKDRMEN1CYP1A2
SCHEMBL29430427 0.67 KDR (0.70) AURKAAURKBKDREGFRPRKD3

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-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 — — 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-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 AURKA 74/4885AURKB 38/4885KDR 144/4885

“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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