SCHEMBL9898431

SCHEMBL9898431

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.34
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 3/20 0.34
PIK3CA P42336 2/20 0.34
KDM5A P29375 1/20 0.34
LRRK2 Q5S007 3/20 0.33
HSD17B10 Q99714 2/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
CCNT1 O60563 3/20 0.33
CDK9 P50750 3/20 0.33
FFAR4 Q5NUL3 1/20 0.33
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL9895829 0.97 BTK (0.34) BTKMAPK1LMNAPOLBL3MBTL1
SCHEMBL1439010 0.96 KDM5A (0.38) BTKPOLBPIK3CDPIK3CAKDM5A
SCHEMBL9895503 0.95 CCNT1 (0.37) MAPK1LMNAPOLBL3MBTL1PIK3CD
SCHEMBL9898649 0.94 EPHX2 (0.38) MAPK1LMNAPOLBL3MBTL1PIK3CD
SCHEMBL1439034 0.93 KDM5A (0.38) BTKMAPK1LMNAPOLBL3MBTL1
SCHEMBL9897545 0.92 BTK (0.35) BTKMAPK1LMNAPOLBL3MBTL1
SCHEMBL9896332 0.92 CCNT1 (0.37) MAPK1LMNAPOLBL3MBTL1PIK3CD
SCHEMBL9896414 0.92 MAPK1 (0.35) MAPK1LMNAPOLBL3MBTL1PIK3CD
SCHEMBL9896395 0.92 CDK9 (0.36) MAPK1LMNAPOLBL3MBTL1KDM5A
SCHEMBL9897296 0.91 EPHX2 (0.38) MAPK1LMNAPOLBL3MBTL1PIK3CD

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.