SCHEMBL642187

SCHEMBL642187

CC(=O)Oc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.72
HDAC3 O15379 4/20 0.68
HDAC4 P56524 4/20 0.68
HDAC1 Q13547 4/20 0.68
HDAC7 Q8WUI4 4/20 0.68
HDAC2 Q92769 4/20 0.68
HDAC10 Q969S8 4/20 0.68
HDAC11 Q96DB2 4/20 0.68
HDAC8 Q9BY41 4/20 0.68
HDAC6 Q9UBN7 4/20 0.68
HDAC9 Q9UKV0 4/20 0.68
HDAC5 Q9UQL6 4/20 0.68
ERBB2 P04626 6/20 0.65
FBP1 P09467 2/20 0.60
AURKA O14965 1/20 0.60
INSR P06213 1/20 0.60
PDGFRB P09619 1/20 0.60
FLT4 P35916 1/20 0.60
KDR P35968 1/20 0.60
CLK1 P49759 1/20 0.60

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
SCHEMBL7766632 0.90 EGFR (0.57) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4740851 0.85 EGFR (0.66) EGFRERBB2FBP1RAF1
SCHEMBL6188789 0.84 EGFR (0.80) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL30968994 0.82 EGFR (0.82) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL642637 0.82 HDAC3 (0.82) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL3328655 0.82 EGFR (0.82) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL643972 0.82 HDAC3 (0.67) EGFRHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL8305110 0.82 EGFR (0.51) EGFRHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL641764 0.82 EGFR (0.80) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL2509266 0.82 EGFR (0.79) EGFRHDAC3HDAC4HDAC1HDAC7

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-08 US disclosed
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-01 US disclosed
US-9108929-B2 Quinazoline based EGFR inhibitors CURIS, INC. (US) 2015-08-18 US disclosed
US-9024024-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-05-05 US disclosed
US-8975401-B2 Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2015-03-10 US disclosed
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-8846912-B2 Tartrate salts of quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2014-09-30 US disclosed
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2014-08-07 US disclosed
US-20140155606-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2014-06-05 US disclosed
US-20140005391-A1 QUINAZOLINE BASED EGFR INHIBITORS CURIS, INC. (US) 2014-01-02 US disclosed
EP-0880507-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP disclosed
US-20030018029-A1 Quinazoline derivatives ZENECA LIMITED 2003-01-23 US disclosed
US-6399602-B1 ANTICANCER AGENTS ZENECA LIMITED (GB) 2002-06-04 US disclosed
EP-0824525-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-13 EP disclosed
US-5932574-A ANTICANCER AGENT ZENECA LIMITED (GB) 1999-08-03 US disclosed
US-5866572-A RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES, TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER. ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0880507-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
EP-0824525-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-02-25 EP disclosed
WO-1997030034-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ZENECA LIMITED (GB) 1997-08-21 WO disclosed
WO-1996033977-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-10-31 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 (6 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-20030018029-A1 Quinazoline derivatives ABL1, FGFR1, ERBB2 EGFR 25/4885HDAC3 490/4885HDAC4 1630/4885
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC5, ERBB4 EGFR 1/4885HDAC3 17/4885HDAC4 6/4885
US-20140155606-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 EGFR 1/4885HDAC3 19/4885HDAC4 9/4885
US-20140005391-A1 QUINAZOLINE BASED EGFR INHIBITORS EGFR, ERBB2, ERBB4 EGFR 1/4885HDAC3 3479/4885HDAC4 2791/4885
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 EGFR 1/4885HDAC3 19/4885HDAC4 9/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 EGFR 1/4885HDAC3 18/4885HDAC4 6/4885

“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.