SCHEMBL9897303

SCHEMBL9897303

CCOC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(F)c(OC)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 6/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 3/20 0.38
USP2 O75604 3/20 0.38
RAB9A P51151 2/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9898068 0.97 L3MBTL1 (0.44) L3MBTL1LMNAMAPK1POLBHSD17B10
SCHEMBL9896414 0.93 MAPK1 (0.35) L3MBTL1LMNAMAPK1POLBHSD17B10
SCHEMBL9896395 0.93 CDK9 (0.36) L3MBTL1LMNAMAPK1POLBHSD17B10
SCHEMBL9898441 0.93 SCN9A (0.40) L3MBTL1LMNAMAPK1POLBMAPT
SCHEMBL1438862 0.93 MAPK1 (0.39) L3MBTL1LMNAMAPK1POLBHSD17B10
SCHEMBL9898649 0.93 EPHX2 (0.38) L3MBTL1LMNAMAPK1POLBHSD17B10
SCHEMBL9895503 0.92 CCNT1 (0.37) L3MBTL1LMNAMAPK1POLBHSD17B10
SCHEMBL9898431 0.91 BTK (0.34) L3MBTL1LMNAMAPK1POLBHSD17B10
SCHEMBL16224113 0.91 MAPK1 (0.34) L3MBTL1LMNAMAPK1POLBHSD17B10
SCHEMBL9897870 0.91 EPHX2 (0.35) L3MBTL1LMNAMAPK1POLBHSD17B10

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 L3MBTL1 2948/4885LMNA 3627/4885MAPK1 2358/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A L3MBTL1 2097/4885LMNA 3477/4885MAPK1 2415/4885

“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.