SCHEMBL3637847

SCHEMBL3637847

COc1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.38
CYP1A2 P05177 1/20 0.35
METAP2 P50579 1/20 0.35
KDM4E B2RXH2 1/20 0.34
DYRK3 O43781 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CYP3A4 P08684 1/20 0.33
DHFR P00374 2/20 0.32
CSF1R P07333 1/20 0.32
ERBB2 P04626 1/20 0.32
PPARD Q03181 1/20 0.32
KIF11 P52732 1/20 0.32
MAP4K1 Q92918 1/20 0.32
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
SCD O00767 1/20 0.31

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
SCHEMBL3638900 0.83 SLC22A12 (0.39) ACP1KDM4ECYP3A4CSF1R
SCHEMBL3637553 0.80 NTRK1 (0.38) ACP1KDM4EDHFRPPARDRAB9A
SCHEMBL3639540 0.79 HDAC1 (0.47) DYRK3CCNA2CDK2DYRK1ADYRK2
SCHEMBL3639652 0.79 ERBB2 (0.48) ACP1KDM4EDHFRERBB2MAP4K1
SCHEMBL3639626 0.78 ACP1 (0.45) ACP1KDM4ECSF1RKIF11PIK3CA
SCHEMBL3636773 0.76 MAPT (0.42) ACP1KDM4EDYRK1ADHFRPPARD
SCHEMBL3638099 0.76 ACP1 (0.45) ACP1KDM4EDHFRPPARDPIK3CA
SCHEMBL3639168 0.76 SMN1; SMN2 (0.44) ACP1KDM4EERBB2MAP4K1RAB9A
SCHEMBL3635851 0.76 ERBB2 (0.47) ACP1CDK2ERBB2
SCHEMBL3637494 0.76 ERBB2 (0.45) ACP1KDM4EERBB2RAB9A

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 ACP1 3021/4885CYP1A2 1751/4885METAP2 1677/4885

“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.