SCHEMBL3636650

SCHEMBL3636650

FC(F)(F)c1ccc(-c2n[nH]cc2CNc2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.43
CCNE1 P24864 7/20 0.43
CDK2 P24941 7/20 0.43
STAT3 P40763 1/20 0.42
GCGR P47871 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX1 P51575 1/20 0.40
MAPT P10636 1/20 0.40
FRK P42685 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
RHOC P08134 2/20 0.40
RHOA P61586 2/20 0.40
ROCK2 O75116 1/20 0.39
GRK2 P25098 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) GCGRMAPTFRKCAMK2BCAMK2G
SCHEMBL3639603 0.89 P2RX1 (0.42) ERBB2GCGRP2RX1MAPTFRK
SCHEMBL3634547 0.88 CLK1 (0.46) ERBB2CCNE1CDK2MAPTFRK
SCHEMBL3637862 0.87 ERBB2 (0.43) ERBB2CCNE1CDK2MAPTFRK
SCHEMBL3635158 0.86 MAPT (0.44) GCGRMEN1KMT2AMAPT
SCHEMBL3633738 0.85 KCNQ3 (0.45) GCGRMAPTFRKCAMK2BCAMK2G
SCHEMBL3641227 0.85 ERBB2 (0.47) ERBB2GCGRMEN1KMT2AP2RX1
SCHEMBL3635851 0.85 ERBB2 (0.47) ERBB2CCNE1CDK2MAPTROCK2
SCHEMBL3637301 0.85 MAPT (0.48) MEN1KMT2AMAPTFRKCAMK2B
SCHEMBL3637523 0.84 CLK1 (0.41) ERBB2GCGRP2RX1MAPTFRK

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 ERBB2 593/4885CCNE1 4715/4885CDK2 1249/4885

“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.