SCHEMBL3635146

SCHEMBL3635146

Cc1cnc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
HDAC4 P56524 4/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE5A O76074 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
CTSC P53634 1/20 0.35

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
SCHEMBL3633631 0.85 GAA (0.38) L3MBTL1GAAPOLBTP53MAPT
SCHEMBL22746005 0.81 PDE2A (0.48) L3MBTL1HDAC4HDAC1HDAC6GAA
SCHEMBL3639542 0.80 CSF1R (0.44) HDAC4HDAC1HDAC6GAAPOLB
SCHEMBL3637563 0.79 CLK1 (0.41) GAAPOLBTP53MAPTCYP2C9
SCHEMBL3640250 0.79 PPARD (0.36) L3MBTL1GAAPOLBTP53MAPT
SCHEMBL3636798 0.78 CLK1 (0.39) GAAPOLBTP53MAPTSMN1; SMN2
SCHEMBL3637862 0.77 ERBB2 (0.43) GAAPOLBTP53MAPTHTT
SCHEMBL3636637 0.77 NOS2 (0.46) L3MBTL1GAAPOLBTP53MAPT
SCHEMBL3635158 0.77 MAPT (0.44) L3MBTL1MAPTMEN1KMT2ACLK1
SCHEMBL3639603 0.76 P2RX1 (0.42) L3MBTL1MAPTCYP2C9CLK1DYRK1A

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 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
CN-101687790-A Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBOTT GMBH & CO KG 2010-03-31 CN 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 L3MBTL1 4483/4885HDAC4 1007/4885HDAC1 658/4885

“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.