SCHEMBL3637563

SCHEMBL3637563

Fc1cnc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
PPARA Q07869 2/20 0.35
EGFR P00533 1/20 0.35
NTRK1 P04629 3/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
VNN1 O95497 1/20 0.34
GCGR P47871 1/20 0.33
CSF1R P07333 1/20 0.33
DHFR P00374 1/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL3634726 0.81 CSF1R (0.43) CLK1DYRK1APPARAVNN1CSF1R
SCHEMBL3641267 0.81 CLK1 (0.47) CLK1DYRK1ACYP3A4PPARANTRK1
SCHEMBL3635146 0.79 L3MBTL1 (0.40) CLK1DYRK1ACYP2C9TP53GAA
SCHEMBL3634547 0.78 CLK1 (0.46) CLK1DYRK1ACYP3A4PPARANTRK1
SCHEMBL3641215 0.78 MAPT (0.44) CLK1DYRK1ACYP3A4PPARANTRK1
SCHEMBL3639200 0.77 CLK1 (0.45) CLK1DYRK1ACYP3A4PPARANTRK1
SCHEMBL3638354 0.77 HDAC1 (0.47) CLK1DYRK1APPARANTRK1GAA
SCHEMBL3633893 0.76 HDAC1 (0.45) CLK1DYRK1AEGFRCSF1RDHFR
SCHEMBL3637638 0.74 KDM4E (0.40) CLK1DYRK1ACSF1R
SCHEMBL3637710 0.74 PPARD (0.38) CLK1DYRK1ACSF1RDHFRTP53

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 4 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
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 CLK1 4069/4885DYRK1A 2140/4885CYP3A4 3415/4885

“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.