SCHEMBL9897182

SCHEMBL9897182

Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@H]1CC[C@H](NC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
CDK9 P50750 3/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
RIPK2 O43353 1/20 0.36
DPP4 P27487 1/20 0.35
ABL1 P00519 1/20 0.35
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35
CRHR1 P34998 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
SSTR5 P35346 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
CNR1 P21554 2/20 0.34

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
SCHEMBL9897191 1.00 KDM5A (0.39) KDM5AKDM4CGRIN1GRIN2BCDK9
SCHEMBL9897900 1.00 KDM5A (0.39) KDM5AKDM4CGRIN1GRIN2BCDK9
SCHEMBL9896670 0.94 CDK9 (0.42) KDM5AKDM4CGRIN1GRIN2BCDK9
SCHEMBL9896198 0.94 GRIN1 (0.39) KDM5AKDM4CGRIN1GRIN2BCDK9
SCHEMBL9897126 0.94 CDK9 (0.42) KDM5AKDM4CGRIN1GRIN2BCDK9
SCHEMBL9897659 0.94 GRIN1 (0.39) KDM5AKDM4CGRIN1GRIN2BCDK9
SCHEMBL9896674 0.94 CDK9 (0.42) KDM5AKDM4CGRIN1GRIN2BCDK9
SCHEMBL9896203 0.94 GRIN1 (0.39) KDM5AKDM4CGRIN1GRIN2BCDK9
SCHEMBL9898670 0.94 GRIN2B (0.39) KDM5AKDM4CGRIN1GRIN2BCDK9
SCHEMBL9896642 0.94 GRIN2B (0.39) KDM5AKDM4CGRIN1GRIN2BCDK9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US claimed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US claimed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US claimed
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 161/4885GRIN1 2957/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM5A 69/4885KDM4C 134/4885GRIN1 4046/4885

“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.