SCHEMBL9898516

SCHEMBL9898516

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
CRHR1 P34998 14/20 0.38
CRHR2 Q13324 1/20 0.38
SCN8A Q9UQD0 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
PTGER1 P34995 1/20 0.37
RBP4 P02753 1/20 0.36
TTR P02766 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL9898510 1.00 MRGPRX4 (0.41) MRGPRX4CRHR1CRHR2SCN8ASCN10A
SCHEMBL9898723 1.00 MRGPRX4 (0.41) MRGPRX4CRHR1CRHR2SCN8ASCN10A
SCHEMBL9896433 0.95 MRGPRX4 (0.38) MRGPRX4CRHR1CRHR2SCN8ASCN10A
SCHEMBL9898174 0.95 MRGPRX4 (0.38) MRGPRX4CRHR1CRHR2SCN8ASCN10A
SCHEMBL9896732 0.95 MRGPRX4 (0.38) MRGPRX4CRHR1CRHR2SCN8ASCN10A
SCHEMBL9897239 0.95 MRGPRX4 (0.38) MRGPRX4CRHR1CRHR2SCN8ASCN10A
SCHEMBL9897365 0.95 PTGER1 (0.39) CRHR1CRHR2SCN8ASCN10APTGER1
SCHEMBL9895900 0.95 PTGER1 (0.39) CRHR1CRHR2SCN8ASCN10APTGER1
SCHEMBL9895895 0.95 PTGER1 (0.39) CRHR1CRHR2SCN8ASCN10APTGER1
SCHEMBL1438990 0.94 CRHR1 (0.39) CRHR1CRHR2SCN8ASCN10APTGER1

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 MRGPRX4 638/4885CRHR1 3405/4885CRHR2 2734/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A MRGPRX4 212/4885CRHR1 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.