SCHEMBL2298865

SCHEMBL2298865

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.38
FYN P06241 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
ADORA1 P30542 1/20 0.34
JAK2 O60674 5/20 0.33
JAK3 P52333 4/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
ROCK2 O75116 1/20 0.32
PRKD3 O94806 1/20 0.32
CSF1R P07333 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PIM1 P11309 1/20 0.32
CDK2 P24941 1/20 0.32
RPS6KA3 P51812 1/20 0.32
ROCK1 Q13464 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL16496400 0.89 USP7 (0.35) LMNAMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL2300176 0.88 USP7 (0.33) ADORA1
SCHEMBL16503263 0.87 TGFBR1 (0.34) ADORA1RPS6KA3RAB9A
SCHEMBL2297367 0.87 RECQL (0.32)
SCHEMBL2298966 0.83 JAK2 (0.40) JAK1FYNGAAADORA1JAK2
SCHEMBL2299477 0.83 PGR (0.35) GRM2
SCHEMBL3399425 0.83 FYN (0.32) FYNPIM1
SCHEMBL2297568 0.82 USP7 (0.32) ADORA1KDM4EPLGPLAU
SCHEMBL2300053 0.82 GRM2 (0.38) FYNGRM2CYP2C9
SCHEMBL2300651 0.81 CRHR1 (0.40) HSP90AA1HSP90AB1

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 10 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
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US disclosed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 WO 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 JAK1 3337/4885FYN 614/4885POLB 1380/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 JAK1 3446/4885FYN 665/4885POLB 1295/4885

“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.