SCHEMBL9895181

SCHEMBL9895181

COc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCC(NC(C)=O)CC4)c(C)[nH]c23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA2 P47869 3/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
ROCK2 O75116 1/20 0.35
MELK Q14680 1/20 0.35
RIPK2 O43353 2/20 0.35
CASP3 P42574 1/20 0.34
CDK9 P50750 1/20 0.34
CASP7 P55210 1/20 0.34
HPGDS O60760 2/20 0.34
PAK1 Q13153 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL9895179 1.00 CYP4F2 (0.39) CYP4F2CYP4A11GABRG2GABRB3GABRA2
SCHEMBL9897562 1.00 CYP4F2 (0.39) CYP4F2CYP4A11GABRG2GABRB3GABRA2
SCHEMBL1440204 0.94 KMT2A (0.39) GABRG2GABRB3GABRA2KMT2APDE4A
SCHEMBL9899063 0.94 KMT2A (0.39) GABRG2GABRB3GABRA2KMT2APDE4A
SCHEMBL1440212 0.94 KMT2A (0.39) GABRG2GABRB3GABRA2KMT2APDE4A
SCHEMBL9896255 0.94 CYP4F2 (0.39) CYP4F2CYP4A11GABRG2GABRB3GABRA2
SCHEMBL9896257 0.94 CYP4F2 (0.39) CYP4F2CYP4A11GABRG2GABRB3GABRA2
SCHEMBL9898024 0.94 CYP4F2 (0.39) CYP4F2CYP4A11GABRG2GABRB3GABRA2
SCHEMBL9896218 0.93 RIPK2 (0.38) GABRG2GABRB3GABRA2KMT2APDE4A
SCHEMBL9896772 0.93 RIPK2 (0.38) GABRG2GABRB3GABRA2KMT2APDE4A

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 CYP4F2 349/4885CYP4A11 584/4885GABRG2 3673/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CYP4F2 395/4885CYP4A11 643/4885GABRG2 4495/4885

“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.