SCHEMBL9898698

SCHEMBL9898698

COCC(=O)N[C@H]1CC[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ACACB O00763 1/20 0.35
SMO Q99835 1/20 0.33
PDE10A Q9Y233 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
BTK Q06187 1/20 0.31
CNR2 P34972 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
BRD4 O60885 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 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
SCHEMBL9897133 1.00 HPGD (0.37) HPGDLMNANPC1RAB9AHTT
SCHEMBL9897134 1.00 HPGD (0.37) HPGDLMNANPC1RAB9AHTT
SCHEMBL9897835 0.97 HPGD (0.40) HPGDLMNANPC1RAB9AHTT
SCHEMBL9897833 0.97 HPGD (0.40) HPGDLMNANPC1RAB9AHTT
SCHEMBL9899221 0.97 HPGD (0.40) HPGDLMNANPC1RAB9AHTT
SCHEMBL9896150 0.93 KDM2B (0.36) HPGDLMNANPC1RAB9AHTT
SCHEMBL9895362 0.93 KDM2B (0.36) HPGDLMNANPC1RAB9AHTT
SCHEMBL9895363 0.93 KDM2B (0.36) HPGDLMNANPC1RAB9AHTT
SCHEMBL9896210 0.93 HPGD (0.33) HPGDLMNANPC1RAB9AHTT
SCHEMBL9897347 0.93 LMNA (0.35) HPGDLMNANPC1RAB9AHTT

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 4 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
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 3627/4885NPC1 4809/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A HPGD 749/4885LMNA 3477/4885NPC1 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.