SCHEMBL939185

SCHEMBL939185

N#Cc1cnc2sc3c(c2c1O)CCN(C(=O)O)C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.43
EGFR P00533 7/20 0.42
KDM4E B2RXH2 1/20 0.41
BPTF Q12830 1/20 0.39
P2RX3 P56373 4/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL938169 0.87 EGFR (0.45) RXFP1EGFRKDM4EBPTFP2RX3
SCHEMBL12908942 0.84 P2RX3 (0.54) P2RX3
SCHEMBL938524 0.77 EGFR (0.67) EGFR
SCHEMBL12908883 0.76 HTR1A (0.39) KDM4EHTR1AADRA1DHTR1BADRA1A
SCHEMBL938914 0.75 EGFR (0.74) EGFR
SCHEMBL13473579 0.73 P2RX3 (0.54) P2RX3
SCHEMBL940518 0.73 MKNK1 (0.48) RXFP1EGFRKDM4EHSP90AA1HSP90AB1
SCHEMBL938916 0.73 MKNK1 (0.57) P2RX3
SCHEMBL939224 0.72 KDM4E (0.72) RXFP1EGFRKDM4EP2RX3BRD4
SCHEMBL29035272 0.69 BPTF (0.41) KDM4EBPTFMEN1ALDH1A1GAA

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-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 (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 RXFP1 4678/4885EGFR 1771/4885KDM4E 2007/4885

“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.