SCHEMBL9897160

SCHEMBL9897160

Cc1[nH]c2c(-c3cc(C(C)C)ccc3OCC3CC3)ncnc2c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
MAPK1 P28482 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PARP1 P09874 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 3/20 0.38
POLB P06746 3/20 0.38
GPR119 Q8TDV5 2/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
GPR55 Q9Y2T6 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
HASPIN Q8TF76 1/20 0.36
NOTCH1 P46531 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
SCHEMBL9898452 0.95 PARP1 (0.41) MAPTL3MBTL1MAPK1ALDH1A1NPC1
SCHEMBL9897318 0.92 PARP1 (0.41) MAPTL3MBTL1MAPK1PARP1MEN1
SCHEMBL16224180 0.91 PBK (0.32) MAPTL3MBTL1MAPK1ALDH1A1NPC1
SCHEMBL1438545 0.91 MAPT (0.41) MAPTL3MBTL1MAPK1PARP1MEN1
SCHEMBL9897936 0.91 L3MBTL1 (0.35) L3MBTL1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL1439333 0.91 L3MBTL1 (0.35) L3MBTL1MAPK1MEN1KMT2APOLB
SCHEMBL9895631 0.90 BRD4 (0.42) MAPTL3MBTL1PARP1MEN1KMT2A
SCHEMBL9896880 0.90 KMT2A (0.42) MAPTL3MBTL1ALDH1A1PARP1MEN1
SCHEMBL9898294 0.90 EPHX2 (0.36) L3MBTL1MAPK1POLBLMNA
SCHEMBL9899681 0.89 HDAC4 (0.40) MAPTL3MBTL1MAPK1PARP1NPSR1

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 MAPT 4595/4885L3MBTL1 2948/4885MAPK1 2358/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A MAPT 4854/4885L3MBTL1 2097/4885MAPK1 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.