SCHEMBL940518

SCHEMBL940518

O=C(O)N1CCc2c(sc3ncnc(Cl)c23)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.48
LIMK1 P53667 1/20 0.46
EGFR P00533 9/20 0.46
RXFP1 Q9HBX9 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42

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
SCHEMBL940596 0.93 ALDH1A1 (0.44) MKNK1LIMK1EGFRRXFP1KDM4E
SCHEMBL940524 0.91 ALDH1A1 (0.44) MKNK1LIMK1EGFRRXFP1KDM4E
SCHEMBL937346 0.90 ALDH1A1 (0.41) MKNK1LIMK1EGFRRXFP1KDM4E
SCHEMBL17296473 0.90 MKNK1 (0.48) MKNK1LIMK1EGFRRXFP1KDM4E
SCHEMBL17307739 0.86 P2RX3 (0.47) MKNK1LIMK1EGFRRXFP1KDM4E
SCHEMBL17307632 0.85 EGFR (0.48) MKNK1EGFRRXFP1KDM4EHSP90AA1
SCHEMBL17307692 0.85 P2RX3 (0.48) MKNK1LIMK1EGFRRXFP1KDM4E
SCHEMBL17296440 0.85 P2RX3 (0.49) MKNK1LIMK1EGFRRXFP1KDM4E
SCHEMBL967213 0.83 RXFP1 (0.66) MKNK1EGFRRXFP1KDM4E
SCHEMBL17307638 0.83 HSP90AA1 (0.51) MKNK1LIMK1EGFRRXFP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107229-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-20 US claimed
EP-3149004-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-05 EP claimed
WO-2015181063-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-03 WO claimed
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
EP-2212332-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-08-04 EP 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 (2 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-20170107229-A1 SUBSTITUTED TETRAHYDROPYRIDOTHIENOPYRIMIDINES TYMP, DPYD, TYMS MKNK1 2433/4885LIMK1 3945/4885EGFR 1017/4885
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, CYP11B1, CYP11A1 MKNK1 3496/4885LIMK1 4207/4885EGFR 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.