SCHEMBL9896342

SCHEMBL9896342

CCOC(=O)c1c(C)[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
SLC34A1 Q06495 6/20 0.40
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GALR2 O43603 1/20 0.38
HTT P42858 1/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM2B Q8NHM5 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL9896634 0.94 CCNT1 (0.41) KDM5AKDM4CSLC34A1LMNASMN1; SMN2
SCHEMBL9896002 0.89 KDM4E (0.39) LMNASMN1; SMN2MAPTKDM4ETSHR
SCHEMBL9896794 0.88 MAPT (0.37) KDM4CSLC34A1LMNASMN1; SMN2MAPT
SCHEMBL9106956 0.87 KDM5A (0.42) KDM5AKDM4CLMNASMN1; SMN2MAPT
SCHEMBL9897594 0.86 LMNA (0.38) KDM4CLMNAMAPTKDM4ECCNT1
SCHEMBL9101753 0.86 LMNA (0.38) KDM4CSLC34A1LMNAMAPTKDM4E
SCHEMBL9898779 0.86 KDM2B (0.41) KDM4CLMNASMN1; SMN2MAPTHTT
SCHEMBL9896486 0.86 BRD4 (0.37) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL983088 0.84 JAK3 (0.46) KDM5AKDM4CJAK2JAK3
SCHEMBL9897182 0.84 KDM5A (0.39) KDM5AKDM4CCCNT1CDK9MEN1

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 KDM5A 83/4885KDM4C 161/4885SLC34A1 1927/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM5A 69/4885KDM4C 134/4885SLC34A1 1621/4885

“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.