SCHEMBL6837080

SCHEMBL6837080

CC1CCc2[nH]ncc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.36
KDR P35968 2/20 0.36
CDK8 P49336 2/20 0.36
CDK9 P50750 2/20 0.36
ROCK1 Q13464 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
PDGFRA P16234 1/20 0.36
CCNA2 P20248 4/20 0.35
CDK2 P24941 4/20 0.35
CCNA1 P78396 4/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
LTK P29376 1/20 0.34
GRK5 P34947 1/20 0.34
MAP2K2 P36507 1/20 0.34

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
SCHEMBL383493 0.79 ELANE (0.41) PRKACAKDRCDK8CDK9ROCK1
SCHEMBL6837187 0.71 HCAR2 (0.36) CCNA2CDK2CCNA1KMT2A
SCHEMBL369723 0.71 PRKACA (0.34) PRKACAKDRCDK8CDK9ROCK1
SCHEMBL18600245 0.69 CSNK2A2 (0.35) MAP2K1ALDH1A1CYP1A2TSHRTDP1
SCHEMBL5944129 0.69
SCHEMBL17895749 0.68 CCNA2 (0.31) CCNA2CDK2CCNA1
SCHEMBL29590771 0.66 GRM4 (0.38) CCNA2CDK2CCNA1ALDH1A1GRM4
SCHEMBL6476656 0.66 GRM4 (0.38) CCNA2CDK2CCNA1ALDH1A1GRM4
SCHEMBL6333956 0.66 CCNA2 (0.41) CCNA2CDK2CCNA1ALDH1A1GRM4
SCHEMBL1395016 0.66 GRM4 (0.41) CCNA2CDK2CCNA1GRM4KMT2A

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-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
US-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
WO-2012006760-A1 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012008999-A2 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO 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-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. GRM3, GRM6, GRM1 PRKACA 3867/4885KDR 1114/4885CDK8 595/4885

“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.