SCHEMBL9899063

SCHEMBL9899063

COc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)N[C@H]4CC[C@H](NC(=O)O)CC4)c(C)[nH]c23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA2 P47869 3/20 0.37
PDE4B Q07343 4/20 0.37
PDE4A P27815 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
CRHR1 P34998 2/20 0.35
CRHR2 Q13324 2/20 0.35
ROCK2 O75116 1/20 0.35
MELK Q14680 1/20 0.35
RIPK2 O43353 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGDS O60760 2/20 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
SCHEMBL1440204 1.00 KMT2A (0.39) KMT2AGABRG2GABRB3GABRA2PDE4B
SCHEMBL1440212 1.00 KMT2A (0.39) KMT2AGABRG2GABRB3GABRA2PDE4B
SCHEMBL9897562 0.94 CYP4F2 (0.39) KMT2AGABRG2GABRB3GABRA2PDE4B
SCHEMBL9895179 0.94 CYP4F2 (0.39) KMT2AGABRG2GABRB3GABRA2PDE4B
SCHEMBL9895181 0.94 CYP4F2 (0.39) KMT2AGABRG2GABRB3GABRA2PDE4B
SCHEMBL9896220 0.94 RIPK2 (0.38) KMT2AGABRG2GABRB3GABRA2PDE4B
SCHEMBL9896218 0.94 RIPK2 (0.38) KMT2AGABRG2GABRB3GABRA2PDE4B
SCHEMBL9896772 0.94 RIPK2 (0.38) KMT2AGABRG2GABRB3GABRA2PDE4B
SCHEMBL9896151 0.94 GRIN1 (0.38) KMT2AGABRG2GABRB3GABRA2PDE4B
SCHEMBL9896147 0.94 GRIN1 (0.38) KMT2AGABRG2GABRB3GABRA2PDE4B

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 KMT2A 1329/4885GABRG2 3673/4885GABRB3 2799/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KMT2A 1454/4885GABRG2 4495/4885GABRB3 4077/4885

“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.