SCHEMBL3633485

SCHEMBL3633485

FC(F)(F)c1ccc(-c2n[nH]cc2CNc2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
RAB9A P51151 1/20 0.42
CLK1 P49759 2/20 0.41
DYRK1A Q13627 2/20 0.41
CSF1R P07333 1/20 0.41
KIT P10721 1/20 0.41
KIF11 P52732 1/20 0.41
EPHX2 P34913 1/20 0.40
NPY5R Q15761 1/20 0.40
VNN1 O95497 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GSK3B P49841 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL3641215 0.85 MAPT (0.44) CYP3A4CYP2C19CLK1DYRK1AKIF11
SCHEMBL3636214 0.83 MAPT (0.49) CLK1DYRK1ACSF1RKITBRD4
SCHEMBL3641267 0.82 CLK1 (0.47) CYP3A4CYP2C19CLK1DYRK1ACSF1R
SCHEMBL3640872 0.82 HDAC1 (0.43) HDAC1HDAC8HDAC6CYP3A4CYP2C19
SCHEMBL3637523 0.81 CLK1 (0.41) CYP3A4CYP2C19CLK1DYRK1ACSF1R
SCHEMBL3638354 0.81 HDAC1 (0.47) HDAC1HDAC8HDAC6CLK1DYRK1A
SCHEMBL3639200 0.81 CLK1 (0.45) CYP3A4CYP2C19CLK1DYRK1ACSF1R
SCHEMBL3634547 0.80 CLK1 (0.46) HDAC1HDAC8HDAC6CYP3A4CYP2C19
SCHEMBL3633738 0.80 KCNQ3 (0.45) CLK1DYRK1ABRD4
SCHEMBL3636135 0.80 ERBB2 (0.47) CYP3A4CYP2C19RAB9ACLK1DYRK1A

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
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
CN-101687790-B Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBVIE INC 2015-02-11 CN 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 HDAC1 658/4885HDAC8 1046/4885HDAC6 721/4885

“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.