SCHEMBL9896855

SCHEMBL9896855

CCC(=O)N[C@H]1CC[C@@H](NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BRD4 O60885 2/20 0.35
HTT P42858 1/20 0.34
RIPK2 O43353 1/20 0.34
MAPT P10636 1/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
PAK1 Q13153 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE10A Q9Y233 1/20 0.32
PIK3CD O00329 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
RBP4 P02753 1/20 0.32
TTR P02766 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
SCHEMBL9896858 1.00 HPGD (0.38) HPGDLMNAKDM2BKDM4CNPC1
SCHEMBL9898552 1.00 HPGD (0.38) HPGDLMNAKDM2BKDM4CNPC1
SCHEMBL9895362 0.97 KDM2B (0.36) HPGDLMNAKDM2BKDM4CNPC1
SCHEMBL9895363 0.97 KDM2B (0.36) HPGDLMNAKDM2BKDM4CNPC1
SCHEMBL9896150 0.97 KDM2B (0.36) HPGDLMNAKDM2BKDM4CNPC1
SCHEMBL9895698 0.94 LMNA (0.38) HPGDLMNAKDM2BKDM4CNPC1
SCHEMBL9897518 0.94 LMNA (0.38) HPGDLMNAKDM2BKDM4CNPC1
SCHEMBL9895700 0.94 LMNA (0.38) HPGDLMNAKDM2BKDM4CNPC1
SCHEMBL1439069 0.93 KDM2B (0.40) HPGDLMNAKDM2BKDM4CNPC1
SCHEMBL1440911 0.93 KDM2B (0.40) HPGDLMNAKDM2BKDM4CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US claimed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US claimed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US claimed
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 HPGD 875/4885LMNA 3627/4885KDM2B 326/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A HPGD 749/4885LMNA 3477/4885KDM2B 325/4885

“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.