SCHEMBL9896527

SCHEMBL9896527

Cc1[nH]c2c(-c3cc(C(F)F)ccc3OCC3CC3)ncnc2c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.38
PDE4B Q07343 7/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
BRD4 O60885 3/20 0.35
RXRA P19793 1/20 0.35
ACACB O00763 4/20 0.34
XDH P47989 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL9897718 0.91 SLC34A1 (0.38) KMOPDE4BPDE4APDE4CPDE4D
SCHEMBL9897992 0.89 PDE4B (0.36) KMOPDE4BPDE4APDE4CPDE4D
SCHEMBL9897996 0.89 PDE4B (0.36) KMOPDE4BPDE4APDE4CPDE4D
SCHEMBL9896942 0.88 BRD4 (0.42) KMOKDM2BKDM4CBRD4
SCHEMBL9896672 0.87 PDE4B (0.35) KMOPDE4BPDE4APDE4CPDE4D
SCHEMBL9897332 0.86 CNR1 (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL9898423 0.86 CNR2 (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL9897643 0.86 CNR1 (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL9897625 0.86 CNR1 (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL9898913 0.86 CNR2 (0.42) PDE4BPDE4APDE4CPDE4D

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
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
CN-102574861-B Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-08-05 CN 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
CN-102574861-A Methylpyrrolopyrimidinecarboxamides NYCOMED GMBH 2012-07-11 CN 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 KMO 2482/4885PDE4B 7/4885PDE4A 3/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KMO 2796/4885PDE4B 5/4885PDE4A 3/4885

“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.