Sugi Predict

Sugi Predict / Compounds / SCHEMBL939978

SCHEMBL939978

SCHEMBL939978

CN(C)C/C=C/C(=O)N1CCc2c(sc3ncc(C#N)c(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.74
▸ ERBB2 P04626 8/20 0.57
▸ SRC P12931 2/20 0.57
▸ KDR P35968 2/20 0.57
▸ STK3 Q13188 3/20 0.56
▸ STK4 Q13043 2/20 0.56
▸ STK25 O00506 1/20 0.56
▸ MAP2K7 O14733 1/20 0.56
▸ CHEK1 O14757 1/20 0.56
▸ GAK O14976 1/20 0.56
▸ EPHB6 O15197 1/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ MAP3K13 O43283 1/20 0.56
▸ NUAK1 O60285 1/20 0.56
▸ STK17B O94768 1/20 0.56
▸ STK10 O94804 1/20 0.56
▸ PRKD3 O94806 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ MAP4K4 O95819 1/20 0.56
▸ CHEK2 O96017 1/20 0.56

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
SCHEMBL939980 1.00 EGFR (0.74) EGFRERBB2SRCKDRSTK3
SCHEMBL938091 0.88 EGFR (0.55) EGFRERBB2SRCKDRSTK3
SCHEMBL1016754 0.87 EGFR (0.89) EGFRERBB2
SCHEMBL1016755 0.87 EGFR (0.89) EGFRERBB2
SCHEMBL12908946 0.86 EGFR (0.53) EGFRERBB2STK3STK4
SCHEMBL940718 0.85 EGFR (1.00) EGFRERBB2SRCKDRSTK3
SCHEMBL940719 0.85 EGFR (1.00) EGFRERBB2SRCKDRSTK3
SCHEMBL938263 0.83 EGFR (0.74) EGFRERBB2ERBB4
SCHEMBL938265 0.83 EGFR (0.74) EGFRERBB2ERBB4
SCHEMBL1016105 0.82 EGFR (0.79) EGFRERBB2

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 6 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
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 — — US disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 — — US disclosed
WO-2009033581-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 — — WO 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 1771/4885ERBB2 1732/4885SRC 1578/4885

“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.