SCHEMBL9895700

SCHEMBL9895700

Cc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCC(NC(=O)CO)CC4)c(C)[nH]c23)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.33
RIPK2 O43353 1/20 0.33
SMO Q99835 2/20 0.33
CNR2 P34972 4/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
PAK1 Q13153 1/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL9897518 1.00 LMNA (0.38) LMNAHPGDKDM2BKDM4CNPC1
SCHEMBL9895698 1.00 LMNA (0.38) LMNAHPGDKDM2BKDM4CNPC1
SCHEMBL9895785 0.97 KDM2B (0.36) LMNAHPGDKDM2BKDM4CNPC1
SCHEMBL9895787 0.97 KDM2B (0.36) LMNAHPGDKDM2BKDM4CNPC1
SCHEMBL9896293 0.97 KDM2B (0.36) LMNAHPGDKDM2BKDM4CNPC1
SCHEMBL9898552 0.94 HPGD (0.38) LMNAHPGDKDM2BKDM4CNPC1
SCHEMBL9896858 0.94 HPGD (0.38) LMNAHPGDKDM2BKDM4CNPC1
SCHEMBL9896855 0.94 HPGD (0.38) LMNAHPGDKDM2BKDM4CNPC1
SCHEMBL9896522 0.93 SMYD3 (0.34) LMNAHPGDRIPK2SMOBRD4
SCHEMBL9896524 0.93 SMYD3 (0.34) LMNAHPGDRIPK2SMOBRD4

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 LMNA 3627/4885HPGD 875/4885KDM2B 326/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A LMNA 3477/4885HPGD 749/4885KDM2B 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.