SCHEMBL9896763

SCHEMBL9896763

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRL1 P41146 2/20 0.36
PAK1 Q13153 1/20 0.35
HSD17B10 Q99714 2/20 0.35
EGFR P00533 3/20 0.34
KDR P35968 3/20 0.34
NTRK1 P04629 1/20 0.34
RIPK2 O43353 2/20 0.33
SETD2 Q9BYW2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAP3K6 O95382 1/20 0.33
MAP3K5 Q99683 1/20 0.33
NSD2 O96028 1/20 0.33
CYP2C8 P10632 1/20 0.33
DRD2 P14416 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL9898202 0.94 MAPK1 (0.36) MAPK1LMNAPOLBL3MBTL1PAK1
SCHEMBL9897410 0.93 EPHX2 (0.38) MAPK1LMNAPOLBL3MBTL1PAK1
SCHEMBL9899081 0.93 CDK9 (0.36) MAPK1LMNAPOLBL3MBTL1OPRL1
SCHEMBL9895641 0.93 LMNA (0.35) MAPK1LMNAPOLBL3MBTL1PAK1
SCHEMBL9896788 0.91 EPHX2 (0.35) MAPK1LMNAPOLBL3MBTL1PAK1
SCHEMBL9897545 0.91 BTK (0.35) MAPK1LMNAPOLBL3MBTL1PAK1
SCHEMBL9896395 0.91 CDK9 (0.36) MAPK1LMNAPOLBL3MBTL1OPRL1
SCHEMBL9897945 0.91 LRRK2 (0.37) POLBPAK1RIPK2
SCHEMBL1439061 0.91 LRRK2 (0.37) POLBPAK1RIPK2
SCHEMBL9897943 0.91 LRRK2 (0.37) POLBPAK1RIPK2

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 MAPK1 2358/4885LMNA 3627/4885POLB 594/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A MAPK1 2415/4885LMNA 3477/4885POLB 1780/4885

“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.