SCHEMBL9897592

SCHEMBL9897592

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.50
CNR2 P34972 6/20 0.50
PTGER1 P34995 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL9898278 1.00 CNR1 (0.50) CNR1CNR2PTGER1SCN8ASCN10A
SCHEMBL9896699 1.00 CNR1 (0.50) CNR1CNR2PTGER1SCN8ASCN10A
SCHEMBL9896537 1.00 CNR1 (0.50) CNR1CNR2PTGER1SCN8ASCN10A
SCHEMBL9896146 0.98 CNR1 (0.48) CNR1CNR2PTGER1SCN8ASCN10A
SCHEMBL9897308 0.98 CNR1 (0.48) CNR1CNR2PTGER1SCN8ASCN10A
SCHEMBL9896086 0.98 CNR1 (0.48) CNR1CNR2PTGER1SCN8ASCN10A
SCHEMBL9897995 0.98 CNR1 (0.48) CNR1CNR2PTGER1SCN8ASCN10A
SCHEMBL9897913 0.90 CNR1 (0.47) CNR1CNR2
SCHEMBL9899586 0.90 CNR1 (0.47) CNR1CNR2
SCHEMBL9898818 0.90 CNR1 (0.47) CNR1CNR2

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 CNR1 3069/4885CNR2 2377/4885PTGER1 280/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CNR1 3001/4885CNR2 2118/4885PTGER1 145/4885

“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.