SCHEMBL8213629

SCHEMBL8213629

Cc1cc(Nc2ncnc3ccc(OCCCCC(=O)NO)cc23)ccc1F

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 0.80
HDAC4 P56524 14/20 0.80
HDAC1 Q13547 14/20 0.80
HDAC7 Q8WUI4 14/20 0.80
HDAC2 Q92769 14/20 0.80
HDAC10 Q969S8 14/20 0.80
HDAC11 Q96DB2 14/20 0.80
HDAC8 Q9BY41 14/20 0.80
HDAC6 Q9UBN7 14/20 0.80
HDAC9 Q9UKV0 14/20 0.80
HDAC5 Q9UQL6 14/20 0.80
EGFR P00533 13/20 0.79
ERBB2 P04626 9/20 0.79
KDR P35968 3/20 0.59

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
SCHEMBL642808 0.89 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL642252 0.88 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL642768 0.88 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL642881 0.86 EGFR (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16199852 0.85 HDAC6 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8211781 0.83 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8216606 0.83 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8213639 0.81 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL641658 0.79 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8203950 0.79 EGFR (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-2190287-B1 TARTRATE SALTS OR COMPLEXES OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2014-10-29 EP disclosed
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-30 US disclosed
US-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-30 US disclosed
WO-2009035718-A1 TARTRATE SALTS OR COMPLEXES OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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 (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-20090111772-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC6, HDAC5, HDAC1 HDAC3 12/4885HDAC4 5/4885HDAC1 3/4885

“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.