SCHEMBL3638835

SCHEMBL3638835

Cc1ccncc1NCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
KDM4C Q9H3R0 3/20 0.37
CRHR1 P34998 1/20 0.37
KIF11 P52732 1/20 0.37
ADRA2C P18825 1/20 0.36
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
TP53 P04637 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
DDR1 Q08345 1/20 0.35
DDR2 Q16832 1/20 0.35
TNIK Q9UKE5 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CSF1R P07333 1/20 0.34
KIT P10721 1/20 0.34
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 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
SCHEMBL3637494 0.85 ERBB2 (0.45) ADRA2CGAAMAPTPOLBACP1
SCHEMBL3637710 0.83 PPARD (0.38) CRHR1KIF11TP53GAAMAPT
SCHEMBL3640421 0.83 GAA (0.43) CRHR1TP53GAAMAPTPOLB
SCHEMBL3640250 0.81 PPARD (0.36) KIF11TP53GAAMAPTPOLB
SCHEMBL3632483 0.81 TP53 (0.43) CRHR1ADRA2CTP53GAAMAPT
SCHEMBL3636773 0.81 MAPT (0.42) CRHR1KIF11TP53GAAMAPT
SCHEMBL3636665 0.80 TRPV1 (0.39) CRHR1TP53GAAMAPTPOLB
SCHEMBL3633485 0.79 HDAC1 (0.47) KIF11CYP3A4CYP2C19CSF1RKIT
SCHEMBL3637553 0.79 NTRK1 (0.38) CRHR1TP53GAAMAPTPOLB
SCHEMBL3641215 0.78 MAPT (0.44) KIF11MAPTCYP3A4CYP2C19FRK

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 SLC22A12 663/4885KDM4C 2353/4885CRHR1 139/4885

“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.