SCHEMBL3634547

SCHEMBL3634547

Fc1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
NTRK1 P04629 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ERBB2 P04626 1/20 0.42
MAPT P10636 1/20 0.41
FRK P42685 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
CCNE1 P24864 4/20 0.40
CDK2 P24941 4/20 0.40
PPARA Q07869 1/20 0.39
BRD4 O60885 1/20 0.39
FFAR1 O14842 2/20 0.39
VNN1 O95497 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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 0.95 MAPT (0.44) CLK1DYRK1ANTRK1MAPTFRK
SCHEMBL3637862 0.88 ERBB2 (0.43) NTRK1ERBB2MAPTFRKCAMK2B
SCHEMBL3636650 0.88 ERBB2 (0.43) ERBB2MAPTFRKCAMK2BCAMK2G
SCHEMBL3639200 0.88 CLK1 (0.45) CLK1DYRK1ANTRK1MAPTFRK
SCHEMBL3635851 0.86 ERBB2 (0.47) ERBB2MAPTCCNE1CDK2FFAR1
SCHEMBL3637301 0.86 MAPT (0.48) CLK1DYRK1AHDAC1HDAC8HDAC6
SCHEMBL3638354 0.85 HDAC1 (0.47) CLK1DYRK1ANTRK1HDAC1HDAC8
SCHEMBL3640872 0.84 HDAC1 (0.43) CLK1DYRK1ANTRK1HDAC1HDAC8
SCHEMBL3633738 0.84 KCNQ3 (0.45) CLK1DYRK1AMAPTFRKCAMK2B
SCHEMBL3641267 0.84 CLK1 (0.47) CLK1DYRK1ANTRK1MAPTFRK

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 CLK1 4069/4885DYRK1A 2140/4885NTRK1 446/4885

“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.