SCHEMBL3634664

SCHEMBL3634664

CCCC(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
ALDH1A1 P00352 8/20 0.51
MEN1 O00255 8/20 0.51
MAPT P10636 7/20 0.51
KDM4E B2RXH2 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
GFER P55789 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
CCNE1 P24864 8/20 0.50
CDK2 P24941 8/20 0.50
MCL1 Q07820 1/20 0.49

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
SCHEMBL3637909 0.85 CCNE1 (0.59) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL3635400 0.83 CCNE1 (0.70) KMT2AALDH1A1MEN1MAPTRAB9A
SCHEMBL3637741 0.82 ALDH1A1 (0.56) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL3639496 0.81 GAA (0.55) GAANPC1RAB9ACCNE1CDK2
SCHEMBL6683539 0.78 ADORA3 (0.54) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL3634740 0.77 FRK (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL6677470 0.77 KMT2A (0.57) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL6679105 0.76 KMT2A (0.56) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL11960241 0.76 ALDH1A1 (0.55) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL6683302 0.75 MAPT (0.63) KMT2AALDH1A1MEN1MAPTKDM4E

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 5 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 claimed
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 KMT2A 595/4885ALDH1A1 3335/4885MEN1 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.