SCHEMBL13404544

SCHEMBL13404544

COc1cc2ncnc(Nc3cc(Cl)ccc3CN(C)C(C)C(C)=O)c2cc1OCCCC#N

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.55
▸ HDAC3 O15379 12/20 0.55
▸ HDAC4 P56524 12/20 0.55
▸ HDAC1 Q13547 12/20 0.55
▸ HDAC7 Q8WUI4 12/20 0.55
▸ HDAC2 Q92769 12/20 0.55
▸ HDAC10 Q969S8 12/20 0.55
▸ HDAC11 Q96DB2 12/20 0.55
▸ HDAC8 Q9BY41 12/20 0.55
▸ HDAC6 Q9UBN7 12/20 0.55
▸ HDAC9 Q9UKV0 12/20 0.55
▸ HDAC5 Q9UQL6 12/20 0.55
▸ EGFR P00533 8/20 0.51
▸ FGFR1 P11362 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ FLT4 P35916 1/20 0.49

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
SCHEMBL13404547 0.90 KDR (0.57) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13404545 0.87 EGFR (0.54) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13404542 0.86 EGFR (0.56) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13404548 0.85 KDR (0.56) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL6046888 0.80 KDR (0.58) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13404539 0.79 EGFR (0.53) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13404535 0.77 EGFR (0.53) KDREGFR
SCHEMBL14765531 0.76 SRC (0.52) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13404537 0.75 EGFR (0.47) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13404536 0.75 EGFR (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 — — US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 — — 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 (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-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 KDR 2393/4885HDAC3 224/4885HDAC4 819/4885

“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.

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