SCHEMBL985007

SCHEMBL985007

COCOc1cc(OCC2CC2)c(Br)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
SCN9A Q15858 5/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
CNR2 P34972 1/20 0.34
SCN5A Q14524 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
EGFR P00533 2/20 0.33
FGFR1 P11362 2/20 0.33
FLT1 P17948 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
RIPK1 Q13546 1/20 0.33
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL15871 0.87 HTR2A (0.40) KCNH2HTR2AHTR2CHTR2BCNR2
SCHEMBL31167218 0.86 ALDH1A1 (0.34) HTR2AHTR2CEGFRKDRKDM4E
SCHEMBL21957402 0.81 SCD (0.42) HTR2AHTR2CHTR2BSCN9ACNR2
SCHEMBL31027311 0.81 SCD (0.42) HTR2AHTR2CHTR2BSCN9ACNR2
SCHEMBL983574 0.81 EGFR (0.39) KCNH2HTR2AHTR2CHTR2BEGFR
SCHEMBL4119858 0.81 CNR2 (0.35) SCN9ACNR2RIPK1SLC6A4KDM4E
SCHEMBL984670 0.78 PDE4B (0.43)
SCHEMBL4121380 0.78 CNR2 (0.40) CNR2EGFRFGFR1KDRKDM4E
SCHEMBL321526 0.76 AAK1 (0.40) KCNH2HTR2AHTR2CSLC6A4KDM4E
SCHEMBL29860504 0.76 AAK1 (0.40) KCNH2HTR2AHTR2CSLC6A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A KCNH2 669/4885HTR2A 3062/4885HTR2C 1834/4885

“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.