SCHEMBL9897181

SCHEMBL9897181

COCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]c3c(-c4ccc(OC)cc4OCC4CC4)ncnc23)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
TBK1 Q9UHD2 2/20 0.34
ROCK2 O75116 1/20 0.33
MELK Q14680 1/20 0.33
BTK Q06187 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.32
IDE P14735 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL9897183 1.00 CNR1 (0.37) CNR1TBK1ROCK2MELKBTK
SCHEMBL9897796 0.95 TBK1 (0.38) CNR1TBK1ROCK2MELKBTK
SCHEMBL9897795 0.95 TBK1 (0.38) CNR1TBK1ROCK2MELKBTK
SCHEMBL9896012 0.94 CNR1 (0.37) CNR1TBK1ROCK2MELKBTK
SCHEMBL9896013 0.94 CNR1 (0.37) CNR1TBK1ROCK2MELKBTK
SCHEMBL9896616 0.94 CNR1 (0.36) CNR1TBK1ROCK2MELKBTK
SCHEMBL9896615 0.94 CNR1 (0.36) CNR1TBK1ROCK2MELKBTK
SCHEMBL9898131 0.92 CNR1 (0.35) CNR1CNR2GRIN1GRIN2B
SCHEMBL9898133 0.92 CNR1 (0.35) CNR1CNR2GRIN1GRIN2B
SCHEMBL16224055 0.92 CNR1 (0.36) CNR1TBK1ROCK2MELKBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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 (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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A CNR1 3069/4885TBK1 3747/4885ROCK2 436/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CNR1 3001/4885TBK1 3270/4885ROCK2 158/4885

“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.