SCHEMBL3639433

SCHEMBL3639433

FC(F)(F)c1ccc(-c2n[nH]cc2CNc2ccccc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.45
ROCK2 O75116 1/20 0.41
GRK2 P25098 1/20 0.41
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
EPHB3 P54753 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ACP1 P24666 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CXCR2 P25025 1/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FABP4 P15090 1/20 0.35
P2RX7 Q99572 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL3636134 0.91 P2RX7 (0.40) ERBB2ROCK2GRK2KCNJ5KCNJ3
SCHEMBL3633893 0.86 HDAC1 (0.45) ERBB2KDM4EL3MBTL1ACP1CXCR2
SCHEMBL3639848 0.86 CHRNA7 (0.38) KDM4EL3MBTL1IDO1TDO2MEN1
SCHEMBL3635919 0.86 KDM4E (0.41) KDM4EL3MBTL1IDO1TDO2KMT2A
SCHEMBL3637494 0.85 ERBB2 (0.45) ERBB2KDM4EL3MBTL1ADRA2BADRA2C
SCHEMBL3639652 0.83 ERBB2 (0.48) ERBB2ROCK2GRK2KDM4EL3MBTL1
SCHEMBL3637638 0.82 KDM4E (0.40) KDM4EL3MBTL1TRPV1
SCHEMBL3640538 0.81 SLC6A4 (0.44) ERBB2ACP1TRPV1
SCHEMBL3632483 0.81 TP53 (0.43) ERBB2L3MBTL1ADRA2CACP1TRPV1
SCHEMBL3641215 0.80 MAPT (0.44)

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 ERBB2 593/4885ROCK2 2286/4885GRK2 26/4885

“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.