SCHEMBL3640872

SCHEMBL3640872

Cc1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
FRK P42685 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
BRD4 O60885 1/20 0.38
FFAR1 O14842 1/20 0.38
TRPV1 Q8NER1 3/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
CSF1R P07333 2/20 0.36
KIT P10721 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL3639200 0.87 CLK1 (0.45) CLK1DYRK1AFRKCAMK2BCAMK2G
SCHEMBL3639540 0.86 HDAC1 (0.47) HDAC1HDAC8HDAC6CLK1DYRK1A
SCHEMBL3641215 0.86 MAPT (0.44) CLK1DYRK1AFRKCAMK2BCAMK2G
SCHEMBL3633738 0.86 KCNQ3 (0.45) CLK1DYRK1AFRKCAMK2BCAMK2G
SCHEMBL3637862 0.85 ERBB2 (0.43) FRKCAMK2BCAMK2GCAMK2DBRD4
SCHEMBL3634547 0.84 CLK1 (0.46) HDAC1HDAC8HDAC6CLK1DYRK1A
SCHEMBL3639726 0.82 MAPT (0.41) CLK1DYRK1AFRKCAMK2BCAMK2G
SCHEMBL3633485 0.82 HDAC1 (0.47) HDAC1HDAC8HDAC6CLK1DYRK1A
SCHEMBL3636798 0.82 CLK1 (0.39) CLK1DYRK1AFRKCAMK2BCAMK2G
SCHEMBL3637710 0.82 PPARD (0.38) CLK1DYRK1AMAPTTP53GAA

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 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.