SCHEMBL3674768

SCHEMBL3674768

CCC(CC)n1c(O)nc2nc(C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.35
SLC2A1 P11166 1/20 0.35
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HCAR3 P49019 1/20 0.32
FBP1 P09467 1/20 0.32
BACE1 P56817 1/20 0.30
PRPS1 P60891 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
SCHEMBL3667672 0.83 PTGER4 (0.37) DHFRSLC2A1BACE1
SCHEMBL3665285 0.76 KMT2A (0.39) BACE1
SCHEMBL3665844 0.76 DHFR (0.34) DHFRSLC2A1
SCHEMBL3671477 0.75 DHFR (0.33) DHFRSLC2A1KDM4E
SCHEMBL2286007 0.74 PDE10A (0.39) DHFRSLC2A1KDM4EUSP2HPGD
SCHEMBL3669610 0.74 PGR (0.32) DHFRSLC2A1BACE1
SCHEMBL977854 0.73 CYP1A2 (0.32)
SCHEMBL3669091 0.72 HRH4 (0.32) BACE1PRPS1
SCHEMBL3775651 0.72 KDM4E (0.34) KDM4EUSP2HPGDHSD17B10ALDH1A1
SCHEMBL3668131 0.71 MET (0.38) DHFRSLC2A1HSD17B10ALDH1A1

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 12 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 claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
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-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP disclosed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO 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
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 DHFR 658/4885SLC2A1 4337/4885KDM4E 4360/4885

“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.