SCHEMBL12426796

SCHEMBL12426796

C#Cc1cc(Nc2ncnc3cc(OC)c(OCCC(=O)O)cc23)ccc1F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.78
ERBB2 P04626 9/20 0.78
HDAC3 O15379 8/20 0.78
HDAC4 P56524 8/20 0.78
HDAC1 Q13547 8/20 0.78
HDAC7 Q8WUI4 8/20 0.78
HDAC2 Q92769 8/20 0.78
HDAC10 Q969S8 8/20 0.78
HDAC11 Q96DB2 8/20 0.78
HDAC8 Q9BY41 8/20 0.78
HDAC6 Q9UBN7 8/20 0.78
HDAC9 Q9UKV0 8/20 0.78
HDAC5 Q9UQL6 8/20 0.78
FBP1 P09467 1/20 0.77
ILK Q13418 1/20 0.59
KDR P35968 3/20 0.59
RIPK2 O43353 1/20 0.58
RET P07949 1/20 0.58
KIF5B P33176 1/20 0.58
NOD1 Q9Y239 1/20 0.58

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
SCHEMBL10118726 0.91 HDAC3 (0.89) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL10118728 0.90 EGFR (0.73) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL1507616 0.88 EGFR (1.00) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL642027 0.88 HDAC3 (1.00) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL14964660 0.87 EGFR (0.83) EGFRERBB2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL1507764 0.87 EGFR (0.98) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL642190 0.86 EGFR (0.80) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL644023 0.85 EGFR (0.83) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL12426808 0.85 HDAC3 (0.69) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL2615523 0.85 EGFR (0.80) EGFRERBB2HDAC3HDAC4HDAC1

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-9108929-B2 Quinazoline based EGFR inhibitors CURIS, INC. (US) 2015-08-18 US disclosed
US-9108929-B2 Quinazoline based EGFR inhibitors CURIS, INC. (US) 2015-08-18 US disclosed
US-8349856-B2 Quinazoline based EGFR inhibitors CURIS, INC. (US) 2013-01-08 US disclosed
US-7977347-B2 inhibitors of epidermal growth factor receptor tyrosine kinase; anticancer; 6-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)hexanoic acid CURIS, INC. (US) 2011-07-12 US disclosed
US-20080125448-A1 Quinazoline Based EGFR Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-05-29 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-20080125448-A1 Quinazoline Based EGFR Inhibitors Containing a Zinc Binding Moiety EGFR, ERBB2, ERBB4 EGFR 1/4885ERBB2 2/4885HDAC3 3186/4885

“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.