SCHEMBL940125

SCHEMBL940125

O=C(C=CCN1CCCOCC1)N1CCCc2c(sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00

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
SCHEMBL940124 1.00 EGFR (1.00) EGFR
SCHEMBL938078 0.96 EGFR (0.93) EGFR
SCHEMBL938077 0.96 EGFR (0.93) EGFR
SCHEMBL1015625 0.94 EGFR (0.88) EGFR
SCHEMBL1015624 0.94 EGFR (0.88) EGFR
SCHEMBL937789 0.90 EGFR (1.00) EGFR
SCHEMBL937788 0.90 EGFR (1.00) EGFR
SCHEMBL1016776 0.90 EGFR (0.81) EGFR
SCHEMBL1016777 0.90 EGFR (0.81) EGFR
SCHEMBL940662 0.90 EGFR (0.81) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
EP-2212332-B1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2012-10-24 EP disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 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 (1 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-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, CYP11B1, CYP11A1 EGFR 1771/4885

“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.