SCHEMBL1657530

SCHEMBL1657530

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

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.80
FBP1 P09467 7/20 0.80
ERBB2 P04626 5/20 0.64
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
ILK Q13418 1/20 0.62
ERBB4 Q15303 2/20 0.57

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 0.89 EGFR (1.00) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL2615523 0.89 EGFR (0.80) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL1507449 0.89 EGFR (0.80) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL1657826 0.88 EGFR (0.79) EGFRFBP1ERBB2ILKERBB4
Hydrochloric Acid SCHEMBL1507764 0.88 EGFR (0.98) EGFRFBP1ERBB2HDAC3HDAC4
Hydrochloric Acid SCHEMBL1507642 0.88 EGFR (0.78) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL3875041 0.86 EGFR (0.71) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL4317814 0.86 EGFR (0.71) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL14964660 0.85 EGFR (0.83) EGFRFBP1ERBB2HDAC3HDAC4
SCHEMBL13646428 0.85 EGFR (0.70) 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS GENENTECH INC (US) 2016-10-20 US claimed
US-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH, INC. (US) 2015-03-26 US claimed
US-20150056207-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS GENENTECH INC (US) 2015-02-26 US claimed
US-20120251530-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS SLIWKOWSKI MARK X (US) 2012-10-04 US claimed
US-8163287-B2 Combination therapy of her expressing tumors GENENTECH, INC. (US) 2012-04-24 US claimed
EP-2344543-A2 TREATMENT METHOD Genentech, Inc. (US) 2011-07-20 EP claimed
JP-2011513427-A 2011-04-28 JP claimed
EP-2257293-A2 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS Genentech, Inc. (US) 2010-12-08 EP claimed
WO-2010045344-A1 COMBINATION THERAPY COMPRISING A C-MET ANTAGONIST AND A VEGF ANTAGONIST GENENTECH, INC. (US) 2010-04-22 WO claimed
WO-2010045345-A2 TREATMENT METHOD GENENTECH, INC. (US) 2010-04-22 WO claimed
US-RE41065-E1 Alkynl and azido-substituted 4-anilinoquinazolines PFIZER, INC. (US) 2009-12-29 US claimed
WO-2009111691-A2 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS GENENTECH, INC. (US) 2009-09-11 WO claimed
US-20090226443-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS GENENTECH, INC. (US) 2009-09-10 US claimed
WO-2007013950-A9 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH INC (US) 2007-03-29 WO claimed
WO-2007013950-A2 COMBINATION THERAPY OF HER EXPRESSING TUMORS GENENTECH, INC. (US) 2007-02-01 WO claimed
US-20070020261-A1 Combination therapy of her expressing tumors GENENTECH, INC. 2007-01-25 US claimed
EP-0817775-B1 QUINAZOLINE DERIVATIVES PFIZER (US) 2001-09-12 EP claimed
US-5747498-A Alkynyl and azido-substituted 4-anilinoquinazolines PFIZER INC. (US) 1998-05-05 US claimed
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS GENENTECH INC (US) 2016-10-20 US disclosed
US-5747498-A Alkynyl and azido-substituted 4-anilinoquinazolines PFIZER INC. (US) 1998-05-05 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 (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-20150086545-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 EGFR 2/4885FBP1 2318/4885ERBB2 1/4885
US-20070020261-A1 Combination therapy of her expressing tumors ERBB2, EGFR, ERBB3 EGFR 2/4885FBP1 2318/4885ERBB2 1/4885
US-20090226443-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS MET, EGFR, ERBB2 EGFR 2/4885FBP1 3214/4885ERBB2 3/4885
US-20160303127-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS MET, EGFR, ERBB2 EGFR 2/4885FBP1 3214/4885ERBB2 3/4885
US-20150056207-A1 COMBINATION THERAPY WITH C-MET AND EGFR ANTAGONISTS MET, EGFR, ERBB2 EGFR 2/4885FBP1 3214/4885ERBB2 3/4885
US-20120251530-A1 COMBINATION THERAPY OF HER EXPRESSING TUMORS ERBB2, EGFR, ERBB3 EGFR 2/4885FBP1 2318/4885ERBB2 1/4885

“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.