SCHEMBL2299657

SCHEMBL2299657

CCCCCn1c(O)nc2ncc(Cl)c(-c3cccc(C#N)c3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
ADORA2A P29274 2/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
GSK3B P49841 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
GLA P06280 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35

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
SCHEMBL2298559 0.89 AR (0.36) ALDH1A1CYP1A2HSD17B10HPGDSMN1; SMN2
SCHEMBL2302534 0.87 TLR8 (0.44) USP7CNR2ADORA2AGABRG2GABRB3
SCHEMBL2302606 0.87 GCGR (0.40) MEN1ALDH1A1KMT2ASMN1; SMN2DRD2
SCHEMBL2295859 0.86 TP53 (0.47) CNR2
SCHEMBL2298814 0.85 KDM4E (0.42) CNR2ALDH1A1
SCHEMBL2297390 0.85 TLR8 (0.43) CNR2GSK3BMEN1KMT2A
SCHEMBL2295974 0.84 KDM4E (0.42) ALDH1A1GLACASP1CASP7HSD17B10
SCHEMBL2300092 0.84 NR1H2 (0.36) GABRG2GABRB3GABRA5GABRA3GRM2
SCHEMBL3398950 0.83 DPP4 (0.36) GABRG2GABRB3GABRA5GABRA3
SCHEMBL2298970 0.83 TLR8 (0.44) CNR2CNR1PLAU

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-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
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 USP7 3474/4885CNR2 3585/4885CNR1 3833/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 USP7 3466/4885CNR2 3525/4885CNR1 3702/4885

“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.