SCHEMBL9897677

SCHEMBL9897677

CCOC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(F)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 3/20 0.48
LMNA P02545 4/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
GALR2 O43603 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
MGLL Q99685 1/20 0.40
HTR7 P34969 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL9897655 0.93 MEN1 (0.40) MEN1KMT2AHSD17B10LMNAMAPK1
SCHEMBL9895631 0.93 BRD4 (0.42) MEN1KMT2AHSD17B10LMNAL3MBTL1
SCHEMBL9897963 0.93 MEN1 (0.40) MEN1KMT2AHSD17B10LMNAMAPK1
SCHEMBL16223989 0.91 MEN1 (0.39) MEN1KMT2AHSD17B10LMNAMAPK1
SCHEMBL9898099 0.90 OPRL1 (0.40) MEN1KMT2AHSD17B10
SCHEMBL16224002 0.90 MEN1 (0.38) MEN1KMT2AHSD17B10LMNAMAPK1
SCHEMBL9898158 0.90 RBP4 (0.39) MEN1KMT2AHSD17B10MGLL
SCHEMBL9897659 0.89 GRIN1 (0.39) MEN1KMT2AHSD17B10
SCHEMBL9896203 0.89 GRIN1 (0.39) MEN1KMT2AHSD17B10
SCHEMBL9896198 0.89 GRIN1 (0.39) MEN1KMT2AHSD17B10

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 MEN1 1982/4885KMT2A 1329/4885HSD17B10 1588/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A MEN1 2901/4885KMT2A 1454/4885HSD17B10 2453/4885

“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.