SCHEMBL13514718

SCHEMBL13514718

C#Cc1cccc(Nc2ncnc3ccc(NC(=O)NC4CCOCC4)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.66
▸ HDAC3 O15379 4/20 0.56
▸ HDAC1 Q13547 4/20 0.56
▸ GAK O14976 1/20 0.56
▸ RIPK2 O43353 1/20 0.56
▸ BUB1 O43683 1/20 0.56
▸ STK10 O94804 1/20 0.56
▸ CARS1 P49589 1/20 0.56
▸ MAP3K1 Q13233 1/20 0.56
▸ PIP4K2C Q8TBX8 1/20 0.56
▸ SLK Q9H2G2 1/20 0.56
▸ ERBB2 P04626 1/20 0.52
▸ ERBB4 Q15303 1/20 0.52
▸ HDAC4 P56524 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL13514815 0.82 EGFR (0.68) EGFRHDAC3HDAC1GAKRIPK2
SCHEMBL13514711 0.79 EGFR (0.72) EGFRHDAC3HDAC1ERBB2ERBB4
SCHEMBL13514751 0.78 EGFR (0.74) EGFRHDAC3HDAC1GAKERBB2
SCHEMBL13514733 0.77 EGFR (0.66) EGFRHDAC3HDAC1GAKERBB2
SCHEMBL13514800 0.77 EGFR (0.72) EGFRHDAC3HDAC1GAKERBB2
SCHEMBL25341768 0.77 EGFR (0.78) EGFRHDAC3HDAC1ERBB2ERBB4
SCHEMBL13514799 0.76 EGFR (0.71) EGFRHDAC3HDAC1ERBB2ERBB4
SCHEMBL1507476 0.76 EGFR (0.80) EGFRHDAC3HDAC1GAKRIPK2
SCHEMBL13514819 0.76 EGFR (0.70) EGFRHDAC3HDAC1GAKRIPK2
SCHEMBL13514713 0.76 EGFR (0.70) EGFRHDAC3HDAC1GAKERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318378-B1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2013-10-23 — — EP disclosed
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
WO-2010002845-A2 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-07 — — 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 (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 EGFR 1042/4885HDAC3 53/4885HDAC1 115/4885
US-20130217661-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL EGFR 1042/4885HDAC3 53/4885HDAC1 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.

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