SCHEMBL9897545

SCHEMBL9897545

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PAK1 Q13153 1/20 0.34
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LRRK2 Q5S007 1/20 0.32
RIPK2 O43353 2/20 0.32
SMO Q99835 1/20 0.32
EPHX2 P34913 1/20 0.32
NPY5R Q15761 1/20 0.32
RBP4 P02753 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
SCHEMBL9895641 0.94 LMNA (0.35) MAPK1LMNAPOLBL3MBTL1PAK1
SCHEMBL9895829 0.94 BTK (0.34) BTKMAPK1LMNAPOLBL3MBTL1
SCHEMBL9897410 0.94 EPHX2 (0.38) MAPK1LMNAPOLBL3MBTL1PIK3CD
SCHEMBL9898431 0.92 BTK (0.34) BTKMAPK1LMNAPOLBL3MBTL1
SCHEMBL9896763 0.91 MAPK1 (0.36) MAPK1LMNAPOLBL3MBTL1PAK1
SCHEMBL9898202 0.91 MAPK1 (0.36) MAPK1LMNAPOLBL3MBTL1PAK1
SCHEMBL1439111 0.91 HSD17B10 (0.38) BTKMAPK1LMNAPOLBL3MBTL1
SCHEMBL9896920 0.90 SMO (0.35) LMNAPOLBGAARIPK2SMO
SCHEMBL9896916 0.90 SMO (0.35) LMNAPOLBGAARIPK2SMO
SCHEMBL9899403 0.90 SMO (0.35) LMNAPOLBGAARIPK2SMO

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 BTK 1798/4885MAPK1 2358/4885LMNA 3627/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A BTK 2609/4885MAPK1 2415/4885LMNA 3477/4885

“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.