Sugi Predict

Sugi Predict / Compounds / SCHEMBL5023804

SCHEMBL5023804

SCHEMBL5023804

COc1cc(C#N)c(N=CN(C)C)cc1OCCCN1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 0.49
▸ WEE2 P0C1S8 2/20 0.47
▸ WEE1 P30291 2/20 0.47
▸ PKMYT1 Q99640 2/20 0.47
▸ FYN P06241 2/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ EGFR P00533 2/20 0.46
▸ SYK P43405 2/20 0.46
▸ RIOK3 O14730 2/20 0.46
▸ STK25 O00506 1/20 0.46
▸ CIT O14578 1/20 0.46
▸ MAP2K7 O14733 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ CASK O14936 1/20 0.46
▸ GAK O14976 1/20 0.46
▸ EPHB6 O15197 1/20 0.46
▸ MAP3K13 O43283 1/20 0.46
▸ MAP3K7 O43318 1/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ NUAK1 O60285 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
SCHEMBL5025126 0.91 SRC (0.47) SRCWEE2WEE1PKMYT1FYN
SCHEMBL5027818 0.91 MAP2K1 (0.49) SRCFYNABL1EGFRCHEK1
SCHEMBL5027821 0.91 MAP2K1 (0.49) SRCFYNABL1EGFRCHEK1
SCHEMBL17922753 0.91 MAP2K1 (0.49) SRCFYNABL1EGFRCHEK1
SCHEMBL3489329 0.83 MAOB (0.36) SRCWEE2WEE1PKMYT1FYN
SCHEMBL13749945 0.83 MAOB (0.36) SRCWEE2WEE1PKMYT1FYN
SCHEMBL17922742 0.83 AR (0.39) SRC
SCHEMBL3489331 0.83 MAOB (0.36) SRCWEE2WEE1PKMYT1FYN
SCHEMBL4299790 0.82 MAOB (0.36) SRCWEE2WEE1PKMYT1FYN
SCHEMBL4299787 0.82 MAOB (0.36) SRCWEE2WEE1PKMYT1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 — — EP disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 — — WO disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 — — US disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 — — US disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 — — US disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 — — EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 — — 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 (2 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-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC SRC 364/4885WEE2 113/4885WEE1 146/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB SRC 347/4885WEE2 85/4885WEE1 94/4885

“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.