SCHEMBL2297785

SCHEMBL2297785

CCC(CC)n1c(O)nc2nccc(-c3ccccc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
FYN P06241 1/20 0.34
ADORA1 P30542 3/20 0.33
GSK3B P49841 2/20 0.33
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
KMT2A Q03164 1/20 0.31
JMJD6 Q6NYC1 1/20 0.31
MAPT P10636 2/20 0.31
KCNQ2 O43526 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
ACSS2 Q9NR19 1/20 0.31
COMT P21964 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
ATP1A1 P05023 1/20 0.30

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
SCHEMBL3669340 0.77 KDM5B (0.37) MAPTKDM5AKDM4CKDM5B
SCHEMBL2297601 0.76 RECQL (0.34) ADORA2AMAPTATP1A1ATP1B1ATP1A3
SCHEMBL3670164 0.76 LOXL2 (0.31)
SCHEMBL3672672 0.75 ELANE (0.32)
SCHEMBL2297790 0.74 PDE4B (0.46) ADORA2AMAPT
SCHEMBL2297367 0.73 RECQL (0.32) ADORA2AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL3675327 0.72 KDM4E (0.36) KMT2A
SCHEMBL3665285 0.72 KMT2A (0.39) ADORA3KMT2A
SCHEMBL3668406 0.71 KDM4E (0.38) GSK3B
SCHEMBL2296117 0.70 GRM2 (0.35) ADORA1CCNA2CDK2ADORA2AADORA2B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 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 (2 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 CHEK1 337/4885FYN 614/4885ADORA1 3223/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 CHEK1 259/4885FYN 665/4885ADORA1 3055/4885

“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.