SCHEMBL9899102

SCHEMBL9899102

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
BTK Q06187 1/20 0.34
HPGD P15428 1/20 0.34
RIPK2 O43353 1/20 0.34
TBK1 Q9UHD2 2/20 0.34
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.33
MAPK14 Q16539 1/20 0.33
SLC6A9 P48067 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
BRD4 O60885 1/20 0.33
PAK1 Q13153 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.32
USP2 O75604 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
SCHEMBL1439120 0.94 TBK1 (0.39) L3MBTL1LMNAALDH1A1HPGDRIPK2
SCHEMBL9896996 0.94 EPHX2 (0.37) L3MBTL1LMNAALDH1A1RIPK2TBK1
SCHEMBL9898121 0.92 KDM2B (0.36) L3MBTL1LMNABTKHPGDTBK1
SCHEMBL9896943 0.92 RIPK2 (0.36) L3MBTL1LMNAALDH1A1RIPK2POLB
SCHEMBL9896746 0.91 LMNA (0.37) L3MBTL1LMNABTKTBK1POLB
SCHEMBL9895486 0.91 TBK1 (0.39) L3MBTL1LMNAALDH1A1BTKHPGD
SCHEMBL1439566 0.90 RIPK2 (0.36) LMNAHPGDRIPK2KMT2AMAPK14
SCHEMBL1439564 0.90 RIPK2 (0.36) LMNAHPGDRIPK2KMT2AMAPK14
SCHEMBL9897593 0.90 BCHE (0.35) L3MBTL1LMNABTKTBK1POLB
SCHEMBL9897768 0.89 TBK1 (0.34) L3MBTL1LMNABTKTBK1POLB

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 3627/4885ALDH1A1 863/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A L3MBTL1 2097/4885LMNA 3477/4885ALDH1A1 776/4885

“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.