SCHEMBL9896054

SCHEMBL9896054

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.40
SLC34A1 Q06495 1/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 2/20 0.37
SLC6A9 P48067 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
F2 P00734 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
ALOX5 P09917 1/20 0.35
CCRL2 O00421 1/20 0.35
SSTR4 P31391 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 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
SCHEMBL9898306 0.91 PTGER1 (0.44) PTGER1SLC6A9SCN8ASCN10APTGDR2
SCHEMBL1438867 0.90 MAPT (0.41) MAPTALDH1A1TP53PTGDR2ALOX5
SCHEMBL9896634 0.89 CCNT1 (0.41) SLC34A1MAPTKDM4EBRD4
SCHEMBL9898779 0.88 KDM2B (0.41) MAPTALDH1A1TP53F2ALOX5
SCHEMBL9896486 0.88 BRD4 (0.37) MAPTALDH1A1F2ALOX5L3MBTL1
SCHEMBL9897718 0.86 SLC34A1 (0.38) SLC34A1MAPTALDH1A1F2ALOX5
SCHEMBL9898628 0.86 LMNA (0.40) MAPTALDH1A1F2KDM4EL3MBTL1
SCHEMBL9895900 0.85 PTGER1 (0.39) PTGER1SCN8ASCN10A
SCHEMBL9897365 0.85 PTGER1 (0.39) PTGER1SCN8ASCN10A
SCHEMBL9895895 0.85 PTGER1 (0.39) PTGER1SCN8ASCN10A

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 PTGER1 280/4885SLC34A1 1927/4885MAPT 4595/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PTGER1 145/4885SLC34A1 1621/4885MAPT 4854/4885

“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.