SCHEMBL6445635

SCHEMBL6445635

COc1cc2c(Nc3c(Cl)ccc4ccoc34)ncnc2cc1OC[C@H]1CO1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.67
SRC P12931 2/20 0.67
EPHA2 P29317 15/20 0.56
EPHB4 P54760 10/20 0.54
ERBB2 P04626 8/20 0.53
FLT1 P17948 4/20 0.52
RET P07949 1/20 0.52
KIF5B P33176 1/20 0.52

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
SCHEMBL6445629 1.00 KDR (0.67) KDRSRCEPHA2EPHB4ERBB2
SCHEMBL6445304 0.87 KDR (0.66) KDRSRCEPHA2EPHB4ERBB2
SCHEMBL6448818 0.84 KDR (0.67) KDRSRCEPHA2EPHB4ERBB2
SCHEMBL6445316 0.82 KDR (0.81) KDRSRCEPHA2EPHB4FLT1
SCHEMBL6448196 0.82 KDR (0.74) KDRSRCEPHA2EPHB4ERBB2
SCHEMBL6445791 0.82 KDR (0.66) KDRSRCEPHA2EPHB4ERBB2
SCHEMBL6445013 0.82 KDR (0.80) KDRSRCEPHA2EPHB4FLT1
SCHEMBL3673614 0.82 KDR (0.88) KDRSRCEPHA2EPHB4FLT1
SCHEMBL6446670 0.82 KDR (0.63) KDRSRCFLT1RETKIF5B
SCHEMBL3680310 0.81 KDR (0.87) KDRSRCEPHB4ERBB2FLT1

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-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US disclosed
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2004-03-11 US disclosed
EP-1326859-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO disclosed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 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 (1 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-20040048881-A1 Quinazoline derivatives with anti-tumour activity TOP1, NQO2, ABCC1 KDR 2192/4885SRC 2823/4885EPHA2 3999/4885

“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.