SCHEMBL6055729

SCHEMBL6055729

COc1cc2c(Nc3cccc4c(Cl)c[nH]c34)ncnc2cc1OCC(O)CN(C)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.60
SRC P12931 1/20 0.60
EGFR P00533 7/20 0.49
RET P07949 10/20 0.49
KIF5B P33176 4/20 0.49
ERBB2 P04626 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 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
SCHEMBL6055489 0.89 KDR (0.55) KDRSRCEGFRRETKIF5B
SCHEMBL3673970 0.85 KDR (0.67) KDRSRCEGFRRETKIF5B
SCHEMBL3674417 0.84 KDR (0.60) KDREGFRRETKIF5BERBB2
SCHEMBL6881088 0.84 KDR (0.66) KDRSRCEGFRRETKIF5B
SCHEMBL3671772 0.84 KDR (0.66) KDRSRCEGFRRETKIF5B
SCHEMBL6881082 0.84 KDR (0.66) KDRSRCEGFRRETKIF5B
SCHEMBL3676968 0.83 SRC (0.76) KDRSRCEGFR
Hydrochloric Acid SCHEMBL7582556 0.82 EGFR (0.66) KDRSRCEGFRRETKIF5B
SCHEMBL3673758 0.81 SRC (0.62) KDRSRCEGFRRETKIF5B
SCHEMBL6871732 0.81 KDR (0.68) KDRSRCEGFRRETKIF5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063733-A1 Such as 4-(7-indolylamino)-6-methoxy-7-(3-morpholinopropoxy)-quinazoline; for treating solid tumors ASTRAZENECA AB (SE) 2004-04-01 US claimed
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-20040063733-A1 Such as 4-(7-indolylamino)-6-methoxy-7-(3-morpholinopropoxy)-quinazoline; for treating solid tumors ASTRAZENECA AB (SE) 2004-04-01 US disclosed
EP-1332141-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-08-06 EP disclosed
WO-2002034744-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-05-02 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-20040063733-A1 Such as 4-(7-indolylamino)-6-methoxy-7-(3-morpholinopropoxy)-quinazoline; for treating solid tumors MIF, CCNI, MMP7 KDR 1855/4885SRC 1355/4885EGFR 862/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 KDR 825/4885SRC 1/4885EGFR 155/4885

“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.