SCHEMBL13549176

SCHEMBL13549176

C#Cc1cccc(Nc2ncnc3ccc(-n4ccn(CCCN(CC)CC)c4=O)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.50
▸ ERBB2 P04626 3/20 0.50
▸ ERBB4 Q15303 1/20 0.50
▸ FBP1 P09467 2/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ GAK O14976 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 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
SCHEMBL13549187 0.94 FBP1 (0.48) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL13514769 0.92 EGFR (0.54) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL13514781 0.89 EGFR (0.53) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL13550332 0.88 EGFR (0.49) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL13514762 0.88 EGFR (0.47) EGFRERBB2ERBB4HDAC3HDAC1
SCHEMBL13514729 0.87 EGFR (0.45) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL13549206 0.86 EGFR (0.50) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL13514659 0.86 EGFR (0.56) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL13514773 0.86 FBP1 (0.54) EGFRERBB2ERBB4FBP1HDAC3
SCHEMBL1766087 0.85 EGFR (0.59) EGFRERBB2ERBB4FBP1HDAC3

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-20130217661-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-08-22 — — US 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

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 1042/4885ERBB2 1234/4885ERBB4 1683/4885
US-20130217661-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL EGFR 1042/4885ERBB2 1234/4885ERBB4 1683/4885

“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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