SCHEMBL13818918

SCHEMBL13818918

C#Cc1cccc(Nc2ncnc3ccc(OCC(=O)Nc4cc(C5=CCCS5)ccc4N)cc23)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.55
▸ HDAC3 O15379 9/20 0.55
▸ HDAC1 Q13547 9/20 0.55
▸ HDAC4 P56524 6/20 0.55
▸ HDAC7 Q8WUI4 6/20 0.55
▸ HDAC2 Q92769 6/20 0.55
▸ HDAC10 Q969S8 6/20 0.55
▸ HDAC11 Q96DB2 6/20 0.55
▸ HDAC8 Q9BY41 6/20 0.55
▸ HDAC6 Q9UBN7 6/20 0.55
▸ HDAC9 Q9UKV0 6/20 0.55
▸ HDAC5 Q9UQL6 6/20 0.55
▸ ERBB2 P04626 4/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ INSR P06213 1/20 0.55
▸ PDGFRB P09619 1/20 0.55
▸ CDK2 P24941 1/20 0.55

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
SCHEMBL13818919 0.93 EGFR (0.62) EGFRHDAC3HDAC1HDAC4HDAC7
SCHEMBL10118521 0.85 EGFR (0.57) EGFRHDAC3HDAC1HDAC4HDAC7
SCHEMBL10118509 0.85 EGFR (0.63) EGFRHDAC3HDAC1HDAC4HDAC7
SCHEMBL13818914 0.84 EGFR (0.67) EGFRHDAC3HDAC1HDAC4HDAC7
SCHEMBL10118507 0.84 EGFR (0.75) EGFRHDAC3HDAC1HDAC4HDAC7
SCHEMBL10118523 0.78 EGFR (0.65) EGFRHDAC3HDAC1HDAC4HDAC7
SCHEMBL13818831 0.77 EGFR (0.62) EGFRHDAC3HDAC1HDAC4HDAC7
SCHEMBL642741 0.77 EGFR (0.81) EGFRHDAC3HDAC1HDAC4HDAC7
SCHEMBL10118514 0.77 EGFR (0.75) EGFRHDAC3HDAC1HDAC4HDAC7
SCHEMBL10118517 0.76 HDAC3 (0.76) EGFRHDAC3HDAC1HDAC4HDAC7

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-7547781-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2009-06-16 — — US disclosed
US-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-06-12 — — 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-20080139590-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC6 EGFR 1/4885HDAC3 15/4885HDAC1 2/4885

“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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