SCHEMBL9895508

SCHEMBL9895508

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
KMT2A Q03164 2/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA2 P47869 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ROCK2 O75116 1/20 0.36
MELK Q14680 1/20 0.36
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
RIPK2 O43353 2/20 0.34
MAPK14 Q16539 2/20 0.34
TBK1 Q9UHD2 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 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
SCHEMBL9897166 1.00 GRIN1 (0.36) GRIN1GRIN2BKMT2AGABRG2GABRB3
SCHEMBL9895510 1.00 GRIN1 (0.36) GRIN1GRIN2BKMT2AGABRG2GABRB3
SCHEMBL9896772 0.95 RIPK2 (0.38) GRIN1GRIN2BKMT2AGABRG2GABRB3
SCHEMBL9896218 0.95 RIPK2 (0.38) GRIN1GRIN2BKMT2AGABRG2GABRB3
SCHEMBL9896220 0.95 RIPK2 (0.38) GRIN1GRIN2BKMT2AGABRG2GABRB3
SCHEMBL9896399 0.93 KDM4E (0.38) GRIN1GRIN2BKMT2AGABRG2GABRB3
SCHEMBL9896398 0.93 KDM4E (0.38) GRIN1GRIN2BKMT2AGABRG2GABRB3
SCHEMBL9897020 0.93 KDM4E (0.38) GRIN1GRIN2BKMT2AGABRG2GABRB3
SCHEMBL1440212 0.93 KMT2A (0.39) GRIN1GRIN2BKMT2AGABRG2GABRB3
SCHEMBL1440204 0.93 KMT2A (0.39) GRIN1GRIN2BKMT2AGABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP 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 GRIN1 2957/4885GRIN2B 2922/4885KMT2A 1329/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A GRIN1 4046/4885GRIN2B 4241/4885KMT2A 1454/4885

“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.