SCHEMBL3637504

SCHEMBL3637504

CCC(CC)Oc1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FRK P42685 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
FFAR1 O14842 3/20 0.39
ROCK1 Q13464 1/20 0.38
MYLK4 Q86YV6 1/20 0.38
CACNA1B Q00975 3/20 0.38
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
ERBB2 P04626 1/20 0.35
BRD4 O60885 1/20 0.34
KIF11 P52732 2/20 0.34
NTRK1 P04629 1/20 0.34
CACNA1H O95180 1/20 0.33

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
SCHEMBL3635323 0.89 MAPT (0.40) FRKCAMK2BCAMK2GCAMK2DMAPT
SCHEMBL3641215 0.86 MAPT (0.44) FRKCAMK2BCAMK2GCAMK2DFFAR1
SCHEMBL3635851 0.85 ERBB2 (0.47) FFAR1MAPTTP53GAACCNE1
SCHEMBL3634547 0.84 CLK1 (0.46) FRKCAMK2BCAMK2GCAMK2DFFAR1
SCHEMBL3637301 0.83 MAPT (0.48) FRKCAMK2BCAMK2GCAMK2DFFAR1
SCHEMBL3637862 0.83 ERBB2 (0.43) FRKCAMK2BCAMK2GCAMK2DFFAR1
SCHEMBL3636992 0.81 CACNA1B (0.44) FFAR1CACNA1BMAPTCCNE1CDK2
SCHEMBL3800645 0.81 GAA (0.40) FRKCAMK2BCAMK2GCAMK2DMAPT
SCHEMBL3633959 0.81 MAPT (0.39) FRKCAMK2BCAMK2GCAMK2DMAPT
SCHEMBL3636650 0.80 ERBB2 (0.43) FRKCAMK2BCAMK2GCAMK2DMAPT

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 FRK 2372/4885CAMK2B 250/4885CAMK2G 288/4885

“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.