SCHEMBL12426798

SCHEMBL12426798

C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)O)cc23)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.84
ERBB2 P04626 8/20 0.84
HDAC3 O15379 7/20 0.84
HDAC4 P56524 7/20 0.84
HDAC1 Q13547 7/20 0.84
HDAC7 Q8WUI4 7/20 0.84
HDAC2 Q92769 7/20 0.84
HDAC10 Q969S8 7/20 0.84
HDAC11 Q96DB2 7/20 0.84
HDAC8 Q9BY41 7/20 0.84
HDAC6 Q9UBN7 7/20 0.84
HDAC9 Q9UKV0 7/20 0.84
HDAC5 Q9UQL6 7/20 0.84
GAK O14976 3/20 0.84
KDR P35968 3/20 0.84
RIPK2 O43353 2/20 0.84
BUB1 O43683 2/20 0.84
STK10 O94804 2/20 0.84
ABL1 P00519 2/20 0.84
LCK P06239 2/20 0.84

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
SCHEMBL12426799 0.99 EGFR (0.84) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL13882737 0.93 EGFR (0.84) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL641765 0.92 EGFR (0.84) EGFRERBB2HDAC3HDAC4HDAC1
Erlotinib SCHEMBL27974794 0.92 EGFR (0.82) EGFRERBB2HDAC3HDAC4HDAC1
Cudc-101 SCHEMBL29350202 0.92 HDAC3 (1.00) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL641667 0.92 HDAC3 (1.00) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL13882718 0.92 HDAC3 (0.88) EGFRERBB2HDAC3HDAC4HDAC1
SCHEMBL8212688 0.92 HDAC3 (1.00) EGFRERBB2HDAC3HDAC4HDAC1
Cudc-101 SCHEMBL93769 0.92 HDAC3 (1.00) EGFRERBB2HDAC3HDAC4HDAC1
Cudc-101 SCHEMBL29379912 0.92 HDAC3 (1.00) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198669-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING MUSCULAR DISORDERS AND DYSTROPHIES, STEROID SIDE EFFECTS, AND INFLAMMATION CHILDREN'S NATIONAL MEDICAL CENTER (US) 2021-07-01 US disclosed
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-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-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

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-20210198669-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING MUSCULAR DISORDERS AND DYSTROPHIES, STEROID SIDE EFFECTS, AND INFLAMMATION TNNC1, MYOF, MBNL1 EGFR 4804/4885ERBB2 4225/4885HDAC3 903/4885

“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.