SCHEMBL3581669

SCHEMBL3581669

CN1CCCN(CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.68
KDR P35968 2/20 0.63
CIT O14578 1/20 0.61
GAK O14976 1/20 0.61
EPHB6 O15197 1/20 0.61
ABCC4 O15439 1/20 0.61
DAPK3 O43293 1/20 0.61
RIPK2 O43353 1/20 0.61
NR1I2 O75469 1/20 0.61
RPS6KA4 O75676 1/20 0.61
STK17B O94768 1/20 0.61
STK10 O94804 1/20 0.61
PRKD3 O94806 1/20 0.61
ABCB11 O95342 1/20 0.61
MAP4K4 O95819 1/20 0.61
CHEK2 O96017 1/20 0.61
ABL1 P00519 1/20 0.61
ERBB2 P04626 1/20 0.61
LCK P06239 1/20 0.61
LYN P07948 1/20 0.61

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
SCHEMBL3590411 0.95 EGFR (0.71) EGFRKDRCITGAKEPHB6
SCHEMBL5675006 0.89 EGFR (0.75) EGFRKDRCITGAKEPHB6
SCHEMBL7002698 0.89 EGFR (0.74) EGFRKDRCITGAKEPHB6
SCHEMBL3587839 0.87 EGFR (0.72) EGFRKDRCITGAKEPHB6
SCHEMBL7003865 0.86 EGFR (0.70) EGFRKDRCITGAKEPHB6
SCHEMBL7567156 0.86 EGFR (0.63) EGFRKDRCITGAKEPHB6
SCHEMBL3581875 0.86 EGFR (0.63) EGFR
SCHEMBL28447992 0.85 EGFR (0.74) EGFRKDRCITGAKEPHB6
SCHEMBL7003295 0.85 EGFR (0.68) EGFRKDRCITGAKEPHB6
SCHEMBL19293607 0.84 FBP1 (0.66) EGFRKDRERBB2FLT4EPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722694-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-05-13 US disclosed
US-20120329778-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-12-27 US disclosed
US-20100069414-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-03-18 US disclosed
US-20070185091-A1 Bicyclic Heterocycles, Pharmaceutical Compositions Containing These Compounds, Their Use and Processes for Preparing Them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-08-09 US disclosed
US-7220750-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-22 US disclosed
EP-1731511-A1 BicyclischeI heterocycles, medicaments containing these compounds, their use and methods for the production thereof Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2006-12-13 EP disclosed
US-20020169180-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-11-14 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-20100069414-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM RET, ROR1, JAK1 EGFR 100/4885KDR 765/4885CIT 364/4885
US-20120329778-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM RET, ROR1, JAK1 EGFR 100/4885KDR 765/4885CIT 364/4885
US-20020169180-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them CYP11B1, ROR1, RET EGFR 75/4885KDR 1135/4885CIT 603/4885
US-20070185091-A1 Bicyclic Heterocycles, Pharmaceutical Compositions Containing These Compounds, Their Use and Processes for Preparing Them RET, ROR1, JAK1 EGFR 100/4885KDR 765/4885CIT 364/4885

“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.