SCHEMBL3636633

SCHEMBL3636633

CC(C)(C)c1n[nH]cc1CNc1cccc(-c2cnco2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP4K4 O95819 1/20 0.40
EDNRA P25101 1/20 0.39
BRAF P15056 1/20 0.38
PFKFB3 Q16875 2/20 0.37
IMPDH2 P12268 2/20 0.36
PFKFB4 Q16877 1/20 0.36
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
PTGDR Q13258 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
PRKCQ Q04759 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ROCK2 O75116 1/20 0.34
METAP2 P50579 1/20 0.34
PORCN Q9H237 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
SCHEMBL3635911 0.87 IMPDH2 (0.43) MEN1KMT2AIMPDH2AAK1PORCN
SCHEMBL3635936 0.85 PRMT6 (0.41) METAP2
SCHEMBL3637488 0.77 PRMT6 (0.42) HDAC1METAP2
SCHEMBL3635913 0.77 MAPT (0.49) MEN1KMT2A
SCHEMBL3641235 0.77 MAOB (0.43)
SCHEMBL3633809 0.76 METAP2 (0.40) BRD4METAP2
SCHEMBL3637444 0.76 PRMT6 (0.41) HDAC1METAP2
SCHEMBL3637485 0.76 PPARG (0.36) MEN1KMT2AMETAP2
SCHEMBL3633805 0.76 KDM4E (0.45) ROCK2
SCHEMBL3637940 0.76 MAPT (0.44) HDAC1HDAC6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 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 (1 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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 HDAC1 658/4885HDAC6 721/4885MEN1 4628/4885

“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.