SCHEMBL9897718

SCHEMBL9897718

CCOC(=O)c1c(C)[nH]c2c(-c3cc(C(F)F)ccc3OCC3CC3)ncnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 1/20 0.38
PDE4B Q07343 5/20 0.35
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
BRD4 O60885 3/20 0.34
F2 P00734 4/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 2/20 0.33
KMO O15229 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
SCHEMBL9896712 0.94 BRD4 (0.35) SLC34A1PDE4BBRD4F2MEN1
SCHEMBL9896527 0.91 KMO (0.38) PDE4BPDE4APDE4CPDE4DBRD4
SCHEMBL9896634 0.89 CCNT1 (0.41) SLC34A1BRD4MEN1MAPTKMT2A
SCHEMBL9896486 0.88 BRD4 (0.37) BRD4F2MEN1ALDH1A1CYP1A2
SCHEMBL9898779 0.88 KDM2B (0.41) BRD4F2MEN1ALDH1A1CYP1A2
SCHEMBL9896054 0.86 PTGER1 (0.40) SLC34A1BRD4F2ALDH1A1ALOX5
SCHEMBL9898628 0.86 LMNA (0.40) PDE4BPDE4APDE4CPDE4DF2
SCHEMBL9897996 0.85 PDE4B (0.36) PDE4BPDE4APDE4CPDE4DBRD4
SCHEMBL9897992 0.85 PDE4B (0.36) PDE4BPDE4APDE4CPDE4DBRD4
SCHEMBL9895483 0.85 ACACB (0.36) PDE4BPDE4APDE4CPDE4DBRD4

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 SLC34A1 1927/4885PDE4B 7/4885PDE4A 3/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A SLC34A1 1621/4885PDE4B 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.