SCHEMBL9896514

SCHEMBL9896514

COCC(=O)NC1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)C(C)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ACACB O00763 1/20 0.33
SMO Q99835 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
HTT P42858 1/20 0.33
BRD4 O60885 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL9896516 1.00 LMNA (0.35) LMNAHPGDNPC1RAB9AACACB
SCHEMBL9897347 1.00 LMNA (0.35) LMNAHPGDNPC1RAB9AACACB
SCHEMBL9896910 1.00 LMNA (0.35) LMNAHPGDNPC1RAB9AACACB
SCHEMBL16224174 1.00 LMNA (0.35) LMNAHPGDNPC1RAB9AACACB
SCHEMBL9896210 0.97 HPGD (0.33) LMNAHPGDNPC1RAB9AACACB
SCHEMBL9897118 0.97 HPGD (0.33) LMNAHPGDNPC1RAB9AACACB
SCHEMBL9897403 0.97 HPGD (0.33) LMNAHPGDNPC1RAB9AACACB
SCHEMBL9896212 0.97 HPGD (0.33) LMNAHPGDNPC1RAB9AACACB
SCHEMBL9896950 0.97 HPGD (0.33) LMNAHPGDNPC1RAB9AACACB
SCHEMBL9897702 0.94 KDM2B (0.34) LMNAHPGDNPC1RAB9AKDM2B

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-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 875/4885NPC1 4809/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A LMNA 3477/4885HPGD 749/4885NPC1 4738/4885

“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.