SCHEMBL9897067

SCHEMBL9897067

CC(=O)N[C@@H]1CC[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CDK1 P06493 3/20 0.33
CDK2 P24941 3/20 0.33
CDK9 P50750 3/20 0.33
BRD4 O60885 2/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ACACB O00763 1/20 0.32
RIPK2 O43353 1/20 0.32
RBP4 P02753 1/20 0.32
TTR P02766 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CNR2 P34972 2/20 0.31
CDK3 Q00526 2/20 0.31
CDK5 Q00535 2/20 0.31
GSK3A P49840 1/20 0.31

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
SCHEMBL9897066 1.00 KDM2B (0.36) KDM2BKDM4CCYP4F2CYP4A11CDK1
SCHEMBL9898325 1.00 KDM2B (0.36) KDM2BKDM4CCYP4F2CYP4A11CDK1
SCHEMBL9897464 0.97 KDM2B (0.37) KDM2BKDM4CCYP4F2CYP4A11CDK9
SCHEMBL9897462 0.97 KDM2B (0.37) KDM2BKDM4CCYP4F2CYP4A11CDK9
SCHEMBL9898235 0.97 KDM2B (0.37) KDM2BKDM4CCYP4F2CYP4A11CDK9
SCHEMBL9895362 0.93 KDM2B (0.36) KDM2BKDM4CBRD4LMNAHPGD
SCHEMBL9895363 0.93 KDM2B (0.36) KDM2BKDM4CBRD4LMNAHPGD
SCHEMBL9896150 0.93 KDM2B (0.36) KDM2BKDM4CBRD4LMNAHPGD
SCHEMBL9895750 0.92 KDM2B (0.34) KDM2BKDM4CCYP4F2CYP4A11BRD4
SCHEMBL9896909 0.92 KDM2B (0.34) KDM2BKDM4CCYP4F2CYP4A11BRD4

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 KDM2B 326/4885KDM4C 161/4885CYP4F2 349/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM2B 325/4885KDM4C 134/4885CYP4F2 395/4885

“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.