SCHEMBL3581982

SCHEMBL3581982

C/C=C/C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCC1CCN(C)CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.66
ERBB2 P04626 3/20 0.60
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 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
SCHEMBL3581983 1.00 EGFR (0.66) EGFRERBB2FGFR1FLT1FLT4
SCHEMBL3578763 0.96 EGFR (0.68) EGFRERBB2FGFR1FLT1FLT4
SCHEMBL3578760 0.96 EGFR (0.68) EGFRERBB2FGFR1FLT1FLT4
SCHEMBL3589322 0.91 EGFR (0.80) EGFRERBB2KDR
SCHEMBL3589674 0.90 EGFR (0.65) EGFRERBB2KDR
SCHEMBL3589671 0.90 EGFR (0.65) EGFRERBB2KDR
SCHEMBL3580562 0.90 EGFR (0.65) EGFRERBB2
SCHEMBL3580561 0.90 EGFR (0.65) EGFRERBB2
SCHEMBL3583180 0.88 EGFR (0.64) EGFRERBB2KDR
SCHEMBL3583184 0.88 EGFR (0.64) EGFRERBB2KDR

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 100/4885ERBB2 57/4885FGFR1 70/4885
US-20120329778-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM RET, ROR1, JAK1 EGFR 100/4885ERBB2 57/4885FGFR1 70/4885
US-20070185091-A1 Bicyclic Heterocycles, Pharmaceutical Compositions Containing These Compounds, Their Use and Processes for Preparing Them RET, ROR1, JAK1 EGFR 100/4885ERBB2 57/4885FGFR1 70/4885

“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.