SCHEMBL3668337

SCHEMBL3668337

CCC(CC)n1c(O)nc2ncc(F)cc21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
MAPK14 Q16539 1/20 0.31
CYP1A2 P05177 1/20 0.31
SMO Q99835 1/20 0.31
DHFR P00374 1/20 0.30
SLC2A1 P11166 1/20 0.30
FBP1 P09467 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
SCHEMBL3669395 0.85 DHFR (0.33) HTR2AHTR2CDHFRSLC2A1
SCHEMBL3671477 0.84 DHFR (0.33) DHFRSLC2A1
SCHEMBL3668131 0.82 MET (0.38) DHFRSLC2A1
SCHEMBL3675397 0.82 DHFR (0.32) DHFRSLC2A1
SCHEMBL3666328 0.82 BACE1 (0.36)
SCHEMBL3666771 0.82 HRH4 (0.37)
SCHEMBL3672328 0.81
SCHEMBL3670684 0.81 DHFR (0.33) DHFR
SCHEMBL3667409 0.81
SCHEMBL3667629 0.80 USP2 (0.32) DHFR

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 13 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
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 HTR2A 3751/4885HTR2C 3801/4885MAPK14 2286/4885

“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.