SCHEMBL3639626

SCHEMBL3639626

COc1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.45
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
PIK3CA P42336 1/20 0.41
KIF11 P52732 1/20 0.41
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
MITF O75030 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3638099 0.91 ACP1 (0.45) ACP1PIK3CAPTPN7DUSP3MAPT
SCHEMBL3639652 0.85 ERBB2 (0.48) ACP1GAAMAPTKDM4EALDH1A1
SCHEMBL3635851 0.83 ERBB2 (0.47) ACP1GAAMAPTTP53SMN1; SMN2
SCHEMBL3637888 0.82 CSF1R (0.42) ACP1GAAPIK3CAMAPTTP53
SCHEMBL3636746 0.81 HDAC1 (0.51) ACP1GAAPIK3CAMAPTSMN1; SMN2
SCHEMBL3639168 0.80 SMN1; SMN2 (0.44) ACP1GAAKMT2AMEN1MAPT
SCHEMBL3636308 0.80 NTRK1 (0.48) GAAKMT2AMEN1MAPTTP53
SCHEMBL3639591 0.80 PLK1 (0.42) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL3635315 0.79 CSF1R (0.54) ACP1GAAKMT2APIK3CAMAPT
SCHEMBL3636773 0.79 MAPT (0.42) ACP1GAAGFERKIF11MAPT

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 ACP1 3021/4885GAA 2566/4885KMT2A 595/4885

“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.