SCHEMBL3639591

SCHEMBL3639591

COc1cc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.42
NTRK1 P04629 1/20 0.41
GAK O14976 4/20 0.41
EGFR P00533 1/20 0.41
EPHB6 O15197 1/20 0.41
RIPK2 O43353 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
EPHA1 P21709 1/20 0.41
EPHA8 P29322 1/20 0.41
TXK P42681 1/20 0.41
COQ8A Q8NI60 1/20 0.41
NLK Q9UBE8 1/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
DHFR P00374 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL3636308 0.89 NTRK1 (0.48) NTRK1MAPTGAAMEN1ALDH1A1
SCHEMBL3637888 0.86 CSF1R (0.42) NTRK1MAPTGAADHFR
SCHEMBL3636798 0.83 CLK1 (0.39) NTRK1MAPTGAA
SCHEMBL3641215 0.83 MAPT (0.44) NTRK1MAPT
SCHEMBL3635851 0.82 ERBB2 (0.47) MAPTGAA
SCHEMBL3638099 0.82 ACP1 (0.45) MAPTDHFRALDH1A1HPGD
SCHEMBL3639168 0.82 SMN1; SMN2 (0.44) MAPTGAAMEN1ALDH1A1HPGD
SCHEMBL3639603 0.81 P2RX1 (0.42) MAPTALDH1A1HPGD
SCHEMBL3636746 0.81 HDAC1 (0.51) NTRK1GAKMAPTGAAHPGD
SCHEMBL3639652 0.81 ERBB2 (0.48) MAPTGAADHFRALDH1A1HPGD

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 PLK1 1803/4885NTRK1 446/4885GAK 629/4885

“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.