SCHEMBL9895900

SCHEMBL9895900

Cc1[nH]c2c(-c3cc(C(F)(F)F)ccc3OCC3CC3)ncnc2c1C(=O)NC1CCC(NC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.39
CRHR1 P34998 17/20 0.38
CRHR2 Q13324 2/20 0.38
RBP4 P02753 1/20 0.37
TTR P02766 1/20 0.37
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL9895895 1.00 PTGER1 (0.39) PTGER1CRHR1CRHR2RBP4TTR
SCHEMBL9897365 1.00 PTGER1 (0.39) PTGER1CRHR1CRHR2RBP4TTR
SCHEMBL9898723 0.95 MRGPRX4 (0.41) PTGER1CRHR1CRHR2RBP4TTR
SCHEMBL1438986 0.95 CRHR1 (0.39) PTGER1CRHR1CRHR2RBP4TTR
SCHEMBL9898510 0.95 MRGPRX4 (0.41) PTGER1CRHR1CRHR2RBP4TTR
SCHEMBL1438990 0.95 CRHR1 (0.39) PTGER1CRHR1CRHR2RBP4TTR
SCHEMBL9898516 0.95 MRGPRX4 (0.41) PTGER1CRHR1CRHR2RBP4TTR
SCHEMBL1439139 0.95 CRHR1 (0.39) PTGER1CRHR1CRHR2RBP4TTR
SCHEMBL9897578 0.94 CCRL2 (0.38) PTGER1CRHR1CRHR2RBP4TTR
SCHEMBL9897944 0.94 CCRL2 (0.38) PTGER1CRHR1CRHR2RBP4TTR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US claimed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US claimed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US claimed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP claimed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 US claimed
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 280/4885CRHR1 3405/4885CRHR2 2734/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PTGER1 145/4885CRHR1 3977/4885CRHR2 3461/4885

“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.