SCHEMBL13404552

SCHEMBL13404552

COc1cc2ncnc(Nc3cc(Cl)ccc3CN(C)CC3OCCO3)c2cc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 18/20 0.48
▸ HDAC3 O15379 9/20 0.48
▸ HDAC4 P56524 9/20 0.48
▸ HDAC1 Q13547 9/20 0.48
▸ HDAC7 Q8WUI4 9/20 0.48
▸ HDAC2 Q92769 9/20 0.48
▸ HDAC10 Q969S8 9/20 0.48
▸ HDAC11 Q96DB2 9/20 0.48
▸ HDAC8 Q9BY41 9/20 0.48
▸ HDAC6 Q9UBN7 9/20 0.48
▸ HDAC9 Q9UKV0 9/20 0.48
▸ HDAC5 Q9UQL6 9/20 0.48
▸ EPHA2 P29317 5/20 0.47
▸ EPHB4 P54760 4/20 0.47
▸ EGFR P00533 5/20 0.46
▸ FLT1 P17948 5/20 0.46
▸ FLT4 P35916 5/20 0.46
▸ FGFR1 P11362 4/20 0.45
▸ ERBB2 P04626 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
SCHEMBL535909 0.86 KDR (0.53) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL10290554 0.84 KDR (0.49) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13404551 0.82 EGFR (0.49) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL3957994 0.80 KDR (0.59) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1467827 0.80 KDR (0.69) KDREGFRFLT1FLT4FGFR1
SCHEMBL19569149 0.80 KDR (0.56) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1468261 0.78 KDR (0.68) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20752888 0.77 KDR (0.51) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20752892 0.77 KDR (0.51) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20752890 0.77 KDR (0.51) KDRHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 — — US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 — — US disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 — — US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 — — US disclosed
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 (3 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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 KDR 2523/4885HDAC3 269/4885HDAC4 843/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 KDR 2393/4885HDAC3 224/4885HDAC4 819/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 KDR 2189/4885HDAC3 193/4885HDAC4 903/4885

“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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