SCHEMBL13007705

SCHEMBL13007705

CCC(CC)n1c(O)nc2ncc(C(=O)NC)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.38
PSMD14 O00487 1/20 0.36
STAMBP O95630 1/20 0.36
COPS5 Q92905 1/20 0.36
HCAR3 P49019 1/20 0.34
ACSS2 Q9NR19 3/20 0.33
BACE1 P56817 1/20 0.32
CYP1A2 P05177 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
PLK1 P53350 3/20 0.32
CRBN Q96SW2 1/20 0.32
CCNC P24863 1/20 0.31
HTR2A P28223 1/20 0.31
CDK8 P49336 1/20 0.31
PASK Q96RG2 1/20 0.31
CDK19 Q9BWU1 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
SCHEMBL3671068 0.86 HCAR3 (0.41) HCAR3
SCHEMBL3665855 0.85 KMT2A (0.36) HPGDSPSMD14STAMBPCOPS5HCAR3
SCHEMBL3675396 0.81
SCHEMBL3670200 0.80
SCHEMBL3669395 0.78 DHFR (0.33) BACE1HTR2A
SCHEMBL3671477 0.77 DHFR (0.33)
SCHEMBL979772 0.76 CNR1 (0.36) CYP1A2PLK1
SCHEMBL3668131 0.76 MET (0.38) CDK8
SCHEMBL3666328 0.76 BACE1 (0.36) BACE1
SCHEMBL3675397 0.76 DHFR (0.32)

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-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 HPGDS 2288/4885PSMD14 2137/4885STAMBP 359/4885

“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.