SCHEMBL13549136

SCHEMBL13549136

C#Cc1cccc(Nc2ncnc3cc(OC)c(NC(=O)CN4CCN(C)CC4)cc23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.70
HDAC4 P56524 7/20 0.70
HDAC1 Q13547 7/20 0.70
HDAC7 Q8WUI4 7/20 0.70
HDAC2 Q92769 7/20 0.70
HDAC10 Q969S8 7/20 0.70
HDAC11 Q96DB2 7/20 0.70
HDAC8 Q9BY41 7/20 0.70
HDAC6 Q9UBN7 7/20 0.70
HDAC9 Q9UKV0 7/20 0.70
HDAC5 Q9UQL6 7/20 0.70
ERBB2 P04626 6/20 0.69
EGFR P00533 16/20 0.67
GAK O14976 2/20 0.61
ALDH1A1 P00352 1/20 0.61
FBP1 P09467 1/20 0.61
MAPT P10636 1/20 0.61
ERBB3 P21860 1/20 0.58
ERBB4 Q15303 1/20 0.58
RIPK2 O43353 1/20 0.57

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
SCHEMBL13549072 0.97 EGFR (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13549127 0.94 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13549128 0.92 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13549148 0.88 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13514677 0.88 EGFR (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13514832 0.88 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13514810 0.87 EGFR (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13514826 0.86 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1766088 0.85 EGFR (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
Epitinib SCHEMBL13514687 0.84 EGFR (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20130217661-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-08-22 US disclosed
US-8426430-B2 Quinazoline derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-04-23 US disclosed
US-8426430-B2 Quinazoline derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-04-23 US disclosed
US-20100009958-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-14 US disclosed
US-20100009958-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-14 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-20100009958-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL HDAC3 53/4885HDAC4 278/4885HDAC1 115/4885
US-20130217661-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL HDAC3 53/4885HDAC4 278/4885HDAC1 115/4885

“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.