SCHEMBL10121520

SCHEMBL10121520

C#Cc1cc(Nc2ncnc3cc(OC)c(C)cc23)ccc1F

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.86
FBP1 P09467 3/20 0.86
ERBB2 P04626 4/20 0.63
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
ILK Q13418 2/20 0.61
KDR P35968 4/20 0.60
CLK1 P49759 2/20 0.60
RET P07949 2/20 0.60
KIF5B P33176 2/20 0.60
AURKA O14965 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
SCHEMBL1507616 0.92 EGFR (1.00) EGFRFBP1ERBB2HDAC3HDAC4
Hydrochloric Acid SCHEMBL1507764 0.91 EGFR (0.98) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL643039 0.88 EGFR (0.84) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL14964660 0.84 EGFR (0.83) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL644023 0.84 EGFR (0.83) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL1657530 0.84 EGFR (0.80) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL8213640 0.84 EGFR (0.85) EGFRFBP1ERBB2KDRCLK1
SCHEMBL2615523 0.83 EGFR (0.80) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL1507449 0.83 EGFR (0.80) EGFRFBP1ERBB2HDAC3HDAC4
Hydrochloric Acid SCHEMBL1507642 0.82 EGFR (0.78) EGFRFBP1ERBB2HDAC3HDAC4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181277-B2 Aminoquinazoline derivatives and their salts and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-10 US disclosed
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
US-8846912-B2 Tartrate salts of quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2014-09-30 US disclosed
US-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-08-14 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-8518910-B2 Formulation of quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-08-27 US disclosed
US-8349856-B2 Quinazoline based EGFR inhibitors CURIS, INC. (US) 2013-01-08 US disclosed
US-20120122881-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2012-05-17 US disclosed
US-20110053963-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CAI XIONG 2011-03-03 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 (7 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-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE ABL1, PRKDC, JAK2 EGFR 460/4885FBP1 4095/4885ERBB2 104/4885
US-20140221403-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC5, ERBB4 EGFR 1/4885FBP1 1048/4885ERBB2 7/4885
US-20140155606-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 EGFR 1/4885FBP1 950/4885ERBB2 5/4885
US-20120122881-A1 FORMULATION OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC6, HDAC5, HDAC1 EGFR 4/4885FBP1 1348/4885ERBB2 13/4885
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 EGFR 1/4885FBP1 950/4885ERBB2 5/4885
US-20110053963-A1 TARTRATE SALTS OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 EGFR 1/4885FBP1 1182/4885ERBB2 6/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 EGFR 1/4885FBP1 1022/4885ERBB2 7/4885

“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.