SCHEMBL9896740

SCHEMBL9896740

Cc1[nH]c2c(-c3cc(C(F)F)ccc3OCC3CC3)ncnc2c1C(=O)N[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.36
PDE4B Q07343 4/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
RIPK2 O43353 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
BRD4 O60885 6/20 0.33
RBP4 P02753 1/20 0.32
TTR P02766 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK14 Q16539 1/20 0.32
KMO O15229 1/20 0.32
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
BRDT Q58F21 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
SCHEMBL9895483 1.00 ACACB (0.36) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9895481 1.00 ACACB (0.36) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9897165 0.96 PDE4B (0.35) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9899541 0.96 PDE4B (0.35) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9896236 0.96 PDE4B (0.35) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9897817 0.96 PDE4B (0.35) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9897992 0.95 PDE4B (0.36) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9897996 0.95 PDE4B (0.36) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9897065 0.94 PDE4A (0.35) ACACBPDE4BPDE4APDE4CPDE4D
SCHEMBL9897063 0.94 PDE4A (0.35) ACACBPDE4BPDE4APDE4CPDE4D

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 ACACB 3595/4885PDE4B 7/4885PDE4A 3/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A ACACB 3558/4885PDE4B 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.