SCHEMBL3425922

SCHEMBL3425922

COc1cc2ncnc(Cl)c2cc1OCCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.67
EPHB4 P54760 2/20 0.67
EPHA2 P29317 1/20 0.67
EGFR P00533 8/20 0.64
FGFR1 P11362 4/20 0.64
FLT1 P17948 4/20 0.64
FLT4 P35916 3/20 0.64
ENPP1 P22413 2/20 0.62
KDM4E B2RXH2 1/20 0.59
SRC P12931 5/20 0.58
RET P07949 2/20 0.58
CIT O14578 1/20 0.58
GAK O14976 1/20 0.58
EPHB6 O15197 1/20 0.58
ABCC4 O15439 1/20 0.58
DAPK3 O43293 1/20 0.58
RIPK2 O43353 1/20 0.58
NR1I2 O75469 1/20 0.58
RPS6KA4 O75676 1/20 0.58
STK17B O94768 1/20 0.58

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
SCHEMBL1011324 1.00 KDR (0.67) KDREPHB4EPHA2EGFRFGFR1
SCHEMBL29478521 0.94 EGFR (0.67) KDREPHB4EPHA2EGFRFGFR1
SCHEMBL3530275 0.94 EGFR (0.67) KDREPHB4EPHA2EGFRFGFR1
SCHEMBL2770275 0.94 EGFR (0.67) KDREPHB4EPHA2EGFRFGFR1
Hydrochloric Acid SCHEMBL27988367 0.93 EGFR (0.66) KDREPHB4EGFRFGFR1FLT1
SCHEMBL4985461 0.92 KDR (0.58) KDREPHB4EPHA2EGFRFGFR1
SCHEMBL18744742 0.90 ENPP1 (0.67) KDREPHB4EPHA2EGFRFGFR1
SCHEMBL30408709 0.90 ENPP1 (0.67) KDREPHB4EPHA2EGFRFGFR1
SCHEMBL4178028 0.90 ENPP1 (0.67) KDREPHB4EPHA2EGFRFGFR1
SCHEMBL3954618 0.88 ENPP1 (0.65) KDREPHB4EPHA2EGFRFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
US-7514460-B2 Benzazole analogues and uses thereof 4SC AG (DE) 2009-04-07 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
EP-1885719-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2008-02-13 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
WO-2006066795-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-06-29 WO disclosed
US-20060135782-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-22 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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-20060135782-A1 Benzazole analogues and uses thereof DCK, SBK3, DAPK3 KDR 1657/4885EPHB4 2570/4885EPHA2 2202/4885
US-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 KDR 3635/4885EPHB4 4462/4885EPHA2 4757/4885

“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.