Sugi Predict

Sugi Predict / Compounds / SCHEMBL4298409

SCHEMBL4298409

SCHEMBL4298409

CN1CCN(CCCOc2cc(OC3CCN(CCOC(C)(C)C)CC3)c3c(=O)[nH]cnc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 14/20 0.43
▸ KDR P35968 12/20 0.43
▸ EGFR P00533 3/20 0.43
▸ LCK P06239 2/20 0.38
▸ YES1 P07947 2/20 0.38
▸ CSK P41240 2/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ GAK O14976 1/20 0.38
▸ EPHB6 O15197 1/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ STK10 O94804 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ RET P07949 1/20 0.38
▸ HCK P08631 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ FGR P09769 1/20 0.38
▸ KIT P10721 1/20 0.38

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
SCHEMBL4298039 0.89 BRD4 (0.42) SRCKDREGFR
SCHEMBL18128960 0.86 SRC (0.56) SRCKDREGFRLCKYES1
SCHEMBL4299761 0.84 SCD (0.34) EGFR
SCHEMBL4266694 0.83 SRC (0.53) SRCKDREGFRLCKYES1
SCHEMBL16742200 0.79 SRC (0.53) SRCKDREGFRLCKYES1
SCHEMBL16747775 0.78 BRD4 (0.48) SRCKDR
SCHEMBL16747789 0.77 SRC (0.49) SRCKDREGFRLCKYES1
SCHEMBL3275698 0.77 SRC (0.51) SRCKDREGFR
SCHEMBL16747707 0.76 SRC (0.44) SRCKDREGFRLCKYES1
SCHEMBL16742223 0.75 SRC (0.41) SRCKDR

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
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 — — EP disclosed
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 — — US disclosed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 — — US disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 — — US disclosed
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 — — EP disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 — — 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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB SRC 785/4885KDR 933/4885EGFR 1016/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB SRC 754/4885KDR 960/4885EGFR 920/4885

“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.