SCHEMBL3637862

SCHEMBL3637862

Cc1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CCNE1 P24864 7/20 0.43
CDK2 P24941 7/20 0.43
FRK P42685 1/20 0.42
CAMK2B Q13554 1/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42
FFAR1 O14842 2/20 0.41
AURKA O14965 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39

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 0.93 MAPT (0.44) MAPTFRKCAMK2BCAMK2GCAMK2D
SCHEMBL3636798 0.89 CLK1 (0.39) ERBB2MAPTTP53POLBGAA
SCHEMBL3634547 0.88 CLK1 (0.46) ERBB2MAPTCCNE1CDK2FRK
SCHEMBL3635851 0.88 ERBB2 (0.47) ERBB2MAPTTP53GAACCNE1
SCHEMBL3636650 0.87 ERBB2 (0.43) ERBB2MAPTCCNE1CDK2FRK
SCHEMBL3639726 0.86 MAPT (0.41) MAPTTP53GAAFRKCAMK2B
SCHEMBL3636135 0.85 ERBB2 (0.47) ERBB2MAPTPOLBGAAHTT
SCHEMBL3640872 0.85 HDAC1 (0.43) MAPTTP53POLBGAAFRK
SCHEMBL27777356 0.85 FRK (0.44) ERBB2MAPTFRKCAMK2BCAMK2G
SCHEMBL3637301 0.85 MAPT (0.48) MAPTFRKCAMK2BCAMK2GCAMK2D

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 ERBB2 593/4885MAPT 572/4885TP53 4848/4885

“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.