SCHEMBL9896387

SCHEMBL9896387

COCC(=O)NC1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(C(C)C)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACACB O00763 3/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
RIPK2 O43353 1/20 0.33
SMO Q99835 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
BTK Q06187 1/20 0.32
KDM5A P29375 1/20 0.32
CNR2 P34972 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
SCHEMBL9896386 1.00 BCHE (0.41) BCHEACHEL3MBTL1ACACBKMT2A
SCHEMBL9897323 1.00 BCHE (0.41) BCHEACHEL3MBTL1ACACBKMT2A
SCHEMBL9897614 0.95 ACACB (0.38) BCHEACHEL3MBTL1ACACBLMNA
SCHEMBL9897070 0.95 ACACB (0.38) BCHEACHEL3MBTL1ACACBLMNA
SCHEMBL9897068 0.95 ACACB (0.38) BCHEACHEL3MBTL1ACACBLMNA
SCHEMBL9895511 0.92 ACACB (0.39) BCHEACHEL3MBTL1ACACBLMNA
SCHEMBL9895512 0.92 ACACB (0.39) BCHEACHEL3MBTL1ACACBLMNA
SCHEMBL9895664 0.92 ACACB (0.39) BCHEACHEL3MBTL1ACACBLMNA
SCHEMBL9897465 0.92 BCHE (0.36) BCHEACHEL3MBTL1ACACBKMT2A
SCHEMBL9898659 0.92 BCHE (0.36) BCHEACHEL3MBTL1ACACBKMT2A

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 BCHE 673/4885ACHE 107/4885L3MBTL1 2948/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A BCHE 1264/4885ACHE 975/4885L3MBTL1 2097/4885

“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.