Sugi Predict

Sugi Predict / Compounds / SCHEMBL3673963

SCHEMBL3673963

SCHEMBL3673963

COc1cc2c(Nc3cccc4occ(Cl)c34)ncnc2cc1OCC(CN1CCN(CC#N)CC1)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.46
▸ EGFR P00533 9/20 0.44
▸ SRC P12931 2/20 0.43
▸ ERBB2 P04626 5/20 0.43
▸ EPHA2 P29317 2/20 0.42
▸ EIF2AK3 Q9NZJ5 1/20 0.42
▸ GAK O14976 1/20 0.42
▸ RIPK2 O43353 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ RET P07949 1/20 0.42
▸ EPHA1 P21709 1/20 0.42
▸ ERBB3 P21860 1/20 0.42
▸ EPHB2 P29323 1/20 0.42
▸ EPHA5 P54756 1/20 0.42
▸ EPHB4 P54760 1/20 0.42
▸ EPHA4 P54764 1/20 0.42
▸ ADK P55263 1/20 0.42
▸ PTK6 Q13882 1/20 0.42
▸ RIPK3 Q9Y572 1/20 0.42
▸ HDAC3 O15379 2/20 0.41

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
SCHEMBL3674395 0.92 KDR (0.49) KDREGFRSRCERBB2EPHA2
SCHEMBL3675120 0.92 KDR (0.48) KDREGFRSRCERBB2EPHA2
SCHEMBL3671573 0.91 KDR (0.56) KDREGFRSRCKCNH2
SCHEMBL3745277 0.90 KDR (0.58) KDREGFRSRCERBB2EPHA2
SCHEMBL3673251 0.85 KDR (0.58) KDREGFRSRCERBB2EPHA2
SCHEMBL3673766 0.82 KDR (0.62) KDREGFRSRCERBB2EPHA2
SCHEMBL6055470 0.82 EGFR (0.46) KDREGFRERBB2RETHDAC3
SCHEMBL3677434 0.82 KDR (0.61) KDREGFRSRCERBB2EPHA2
Hydrochloric Acid SCHEMBL6449945 0.81 KDR (0.69) KDREGFRSRCKCNH2
SCHEMBL5221951 0.80 ENPP1 (0.45) KDREGFR

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
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 — — US claimed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 — — US claimed
EP-1562612-B1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE FOR USE IN THE TREATMENT OR PROPHLAXIX OF PANCREATIC CANCER ASTRAZENECA AB (SE) 2010-01-27 — — EP disclosed
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine ASTRAZENECA AB (SE) 2006-06-29 — — US disclosed
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 — — US disclosed
WO-2004087120-A2 USE OF QUINAZOLINE DERIVATIVES WITH SRC KINASE INHIBITORY ACTIVITY FOR THE TREATMENT OF HYPERTENSION ASTRAZENECA AB (SE) 2004-10-14 — — WO disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 — — 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 (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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 KDR 2216/4885EGFR 1832/4885SRC 2778/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 KDR 825/4885EGFR 155/4885SRC 1/4885

“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.