SCHEMBL9898437

SCHEMBL9898437

CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]c3c(-c4ccc(F)cc4OCC4CC4)ncnc23)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MKNK2 Q9HBH9 2/20 0.35
CNR1 P21554 1/20 0.35
CDK9 P50750 6/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CCNT1 O60563 5/20 0.33
RET P07949 3/20 0.33
KDM2B Q8NHM5 2/20 0.33
PHF8 Q9UPP1 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GALR2 O43603 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
RIPK1 Q13546 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
SCHEMBL9898435 1.00 KDM5A (0.36) KDM5AKDM4CMKNK2CNR1CDK9
SCHEMBL9897508 0.94 RET (0.36) KDM5AKDM4CMKNK2CNR1CDK9
SCHEMBL9897511 0.94 RET (0.36) KDM5AKDM4CMKNK2CNR1CDK9
SCHEMBL16224138 0.94 KDM5A (0.37) KDM5AKDM4CCNR1RETKDM2B
SCHEMBL16224140 0.94 KDM5A (0.37) KDM5AKDM4CCNR1RETKDM2B
SCHEMBL9897083 0.93 KDM5A (0.35) KDM5AKDM4CCNR1CDK9CCNT1
SCHEMBL9897080 0.93 KDM5A (0.35) KDM5AKDM4CCNR1CDK9CCNT1
SCHEMBL9896941 0.93 CCNT1 (0.36) KDM5AKDM4CCNR1CDK9CCNT1
SCHEMBL9896944 0.93 CCNT1 (0.36) KDM5AKDM4CCNR1CDK9CCNT1
SCHEMBL9898023 0.92 KDM5A (0.34) KDM5AKDM4CCNR1RETKDM2B

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 KDM5A 83/4885KDM4C 161/4885MKNK2 3861/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM5A 69/4885KDM4C 134/4885MKNK2 3948/4885

“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.