SCHEMBL3639726

SCHEMBL3639726

Cc1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 3/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.41
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 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
SCHEMBL3641215 0.87 MAPT (0.44) MAPTCYP3A4CYP2C19CLK1DYRK1A
SCHEMBL3637862 0.86 ERBB2 (0.43) MAPTTP53GAAHTTNTRK1
SCHEMBL3636798 0.85 CLK1 (0.39) MAPTTP53CLK1DYRK1AGAA
SCHEMBL3636135 0.85 ERBB2 (0.47) MAPTLMNARAB9AL3MBTL1CYP1A2
SCHEMBL3636308 0.84 NTRK1 (0.48) MAPTL3MBTL1TP53GAAALDH1A1
SCHEMBL3635158 0.83 MAPT (0.44) MAPTL3MBTL1CLK1DYRK1AALDH1A1
SCHEMBL3636214 0.83 MAPT (0.49) MAPTLMNAL3MBTL1CLK1DYRK1A
SCHEMBL3634547 0.83 CLK1 (0.46) MAPTCYP3A4CYP2C19CLK1DYRK1A
SCHEMBL3640872 0.82 HDAC1 (0.43) MAPTCYP3A4CYP2C19TP53CLK1
SCHEMBL3640421 0.82 GAA (0.43) MAPTLMNAL3MBTL1TP53CLK1

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 MAPT 572/4885NPC1 2174/4885LMNA 4827/4885

“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.