SCHEMBL9898306

SCHEMBL9898306

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.44
PTGDR2 Q9Y5Y4 9/20 0.38
SLC6A9 P48067 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MDM2 Q00987 1/20 0.36
KMO O15229 1/20 0.36
SSTR4 P31391 1/20 0.35
SYK P43405 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL9896054 0.91 PTGER1 (0.40) PTGER1PTGDR2SLC6A9SCN8ASCN10A
SCHEMBL9895900 0.89 PTGER1 (0.39) PTGER1SCN8ASCN10A
SCHEMBL9895895 0.89 PTGER1 (0.39) PTGER1SCN8ASCN10A
SCHEMBL9897365 0.89 PTGER1 (0.39) PTGER1SCN8ASCN10A
SCHEMBL9896942 0.88 BRD4 (0.42) KDM2BKDM4CKMO
SCHEMBL9897308 0.86 CNR1 (0.48) PTGER1SCN8ASCN10ACNR1CNR2
SCHEMBL9898278 0.86 CNR1 (0.50) PTGER1SCN8ASCN10ACNR1CNR2
SCHEMBL9897995 0.86 CNR1 (0.48) PTGER1SCN8ASCN10ACNR1CNR2
SCHEMBL9896146 0.86 CNR1 (0.48) PTGER1SCN8ASCN10ACNR1CNR2
SCHEMBL9896537 0.86 CNR1 (0.50) PTGER1SCN8ASCN10ACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
CN-102574861-B Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-08-05 CN 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
CN-102574861-A Methylpyrrolopyrimidinecarboxamides NYCOMED GMBH 2012-07-11 CN 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 280/4885PTGDR2 525/4885SLC6A9 4349/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A PTGER1 145/4885PTGDR2 430/4885SLC6A9 3886/4885

“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.