SCHEMBL2302273

SCHEMBL2302273

CC[C@@H](CO)n1c(O)nc2ncc(Cl)c(-c3ccc(C#N)cc3)c21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.37
CYP11B2 P19099 2/20 0.33
CNR1 P21554 4/20 0.33
CYP3A4 P08684 1/20 0.32
FYN P06241 1/20 0.32
PLAU P00749 1/20 0.31
TGFBR1 P36897 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
USP7 Q93009 1/20 0.31
EGLN1 Q9GZT9 2/20 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
SCHEMBL2298555 0.95 AR (0.37) ARCYP11B2CNR1CYP3A4PLAU
SCHEMBL2298110 0.89 GRM5 (0.33)
SCHEMBL3394974 0.88 USP7 (0.35) CNR1USP7
SCHEMBL2300176 0.87 USP7 (0.33) USP7
SCHEMBL2299259 0.86 TGFBR1 (0.34) TGFBR1USP7
SCHEMBL16503263 0.86 TGFBR1 (0.34) TGFBR1USP7
SCHEMBL2298865 0.84 JAK1 (0.38) FYNPLAU
SCHEMBL2299654 0.84 USP7 (0.40) CYP3A4PLAUUSP7EGLN1
SCHEMBL2295970 0.83 GRM5 (0.34)
SCHEMBL2299674 0.82 USP7 (0.35) USP7

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 8 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-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 AR 3167/4885CYP11B2 1757/4885CNR1 3833/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 AR 2960/4885CYP11B2 1309/4885CNR1 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.