SCHEMBL1191708

SCHEMBL1191708

C[C@@H](Nc1ncnc2cc(OCC3CCCO3)c(NC(=O)C=CCN(C)C)cc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.52
ERBB2 P04626 8/20 0.52
GAK O14976 2/20 0.49
ABL1 P00519 2/20 0.49
LCK P06239 2/20 0.49
MET P08581 2/20 0.49
PHKG2 P15735 2/20 0.49
BLK P51451 2/20 0.49
IRAK1 P51617 2/20 0.49
DYRK1A Q13627 2/20 0.49
ERBB4 Q15303 2/20 0.49
HIPK4 Q8NE63 2/20 0.49
EPHA6 Q9UF33 2/20 0.49
CIT O14578 1/20 0.49
EPHB6 O15197 1/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49
LYN P07948 1/20 0.49
RET P07949 1/20 0.49
CHRM2 P08172 1/20 0.49

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
SCHEMBL1191710 1.00 EGFR (0.52) EGFRERBB2GAKABL1LCK
SCHEMBL1191706 1.00 EGFR (0.52) EGFRERBB2GAKABL1LCK
SCHEMBL3482571 0.91 EGFR (0.50) EGFRERBB2ERBB4
SCHEMBL3482568 0.91 EGFR (0.50) EGFRERBB2ERBB4
SCHEMBL3482574 0.91 EGFR (0.50) EGFRERBB2ERBB4
SCHEMBL3481485 0.90 EGFR (0.49) EGFRERBB2GAKABL1LCK
SCHEMBL3481479 0.90 EGFR (0.49) EGFRERBB2GAKABL1LCK
SCHEMBL3481481 0.90 EGFR (0.49) EGFRERBB2GAKABL1LCK
SCHEMBL726473 0.89 EGFR (0.57) EGFRERBB2GAKABL1LCK
SCHEMBL726474 0.89 EGFR (0.57) EGFRERBB2GAKABL1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345910-B9 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2014-06-04 EP disclosed
US-8586608-B2 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-11-19 US disclosed
US-RE43431-E1 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-05-29 US disclosed
US-20110046168-A1 METHODS OF TREATING DISEASES USING QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-02-24 US disclosed
US-20100010023-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-14 US disclosed
EP-2112140-A1 Chinazolin derivatives, medicine containing these compounds, application thereof and method for their production Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-10-28 EP disclosed
EP-1345910-B1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-29 EP disclosed
US-20060100223-A1 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
US-7019012-B2 Tyrosine inhibitors; antitumor agents; respiratory system disorders BOEHRINGER INGELHEIM INTERNATIONAL PHARMA GMBH & CO. KG (DE) 2006-03-28 US disclosed
US-20020173509-A1 Quinazoline derivatives and phamaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-11-21 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 (4 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-20020173509-A1 Quinazoline derivatives and phamaceutical compositions containing them MAP3K1, MAP4K2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EGFR 195/4885ERBB2 78/4885GAK 794/4885
US-20060100223-A1 Quinazoline derivatives and pharmaceutical compositions containing them CNKSR1, RET, ABL1 EGFR 200/4885ERBB2 122/4885GAK 684/4885
US-20100010023-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, ABL1, TYK2 EGFR 218/4885ERBB2 109/4885GAK 688/4885
US-20110046168-A1 METHODS OF TREATING DISEASES USING QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, ABL1, JAK1 EGFR 212/4885ERBB2 100/4885GAK 867/4885

“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.