SCHEMBL3639652

SCHEMBL3639652

COc1ccccc1NCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.48
ROCK2 O75116 1/20 0.45
GRK2 P25098 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ACP1 P24666 1/20 0.42
CACNA1B Q00975 2/20 0.41
GAA P10253 2/20 0.39
MAP4K1 Q92918 1/20 0.39
APAF1 O14727 1/20 0.39
RECQL P46063 1/20 0.39
PIK3CD O00329 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL3639168 0.90 SMN1; SMN2 (0.44) ERBB2ROCK2RXFP1L3MBTL1JAK2
SCHEMBL3637494 0.86 ERBB2 (0.45) ERBB2L3MBTL1MAPTKDM4EHPGD
SCHEMBL3638099 0.85 ACP1 (0.45) MAPTKDM4EHPGDALDH1A1ACP1
SCHEMBL3639626 0.85 ACP1 (0.45) L3MBTL1MAPTKDM4EALDH1A1ACP1
SCHEMBL3633893 0.84 HDAC1 (0.45) ERBB2L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL3638900 0.84 SLC22A12 (0.39) L3MBTL1KDM4EACP1
SCHEMBL3639433 0.83 ERBB2 (0.45) ERBB2ROCK2GRK2L3MBTL1KDM4E
SCHEMBL3637490 0.83 CCNE1 (0.42) ERBB2L3MBTL1MAPTALDH1A1ACP1
SCHEMBL3640538 0.82 SLC6A4 (0.44) ERBB2RXFP1ACP1CACNA1B
SCHEMBL3632483 0.81 TP53 (0.43) ERBB2RXFP1L3MBTL1MAPTALDH1A1

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 4 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
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.