SCHEMBL3738451

SCHEMBL3738451

COc1cc2c(Nc3cccc4c(Cl)c[nH]c34)ncnc2cc1OCC(CN1CCCC1)OC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.62
SRC P12931 2/20 0.62
EGFR P00533 9/20 0.48
ERBB2 P04626 3/20 0.47
AURKA O14965 1/20 0.47
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
EPHA2 P29317 2/20 0.45
EPHB4 P54760 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL3672100 0.99 KDR (0.61) KDRSRCEGFRERBB2AURKA
SCHEMBL3679860 0.94 SRC (0.70) KDRSRCEGFR
Hydrochloric Acid SCHEMBL6879639 0.94 SRC (0.69) KDRSRCEGFR
SCHEMBL3673251 0.92 KDR (0.58) KDRSRCEGFRERBB2EPHA2
SCHEMBL3673970 0.89 KDR (0.67) KDRSRCEGFRERBB2AURKA
SCHEMBL6881088 0.88 KDR (0.66) KDRSRCEGFRAURKAFGFR1
SCHEMBL6881082 0.88 KDR (0.66) KDRSRCEGFRAURKAFGFR1
SCHEMBL3671772 0.88 KDR (0.66) KDRSRCEGFRAURKAFGFR1
SCHEMBL3673766 0.86 KDR (0.62) KDRSRCEGFRERBB2AURKA
SCHEMBL3677434 0.85 KDR (0.61) KDRSRCEGFRERBB2AURKA

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 4 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
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-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

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.