SCHEMBL2298477

SCHEMBL2298477

CCC(CC)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
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
JAK2 O60674 5/20 0.34
JAK3 P52333 4/20 0.34
HSP90AA1 P07900 3/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
CSF1R P07333 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PIM1 P11309 1/20 0.34
CDK2 P24941 1/20 0.34
RPS6KA3 P51812 1/20 0.34
ROCK1 Q13464 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
ADORA1 P30542 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
SYK P43405 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2298865 0.95 JAK1 (0.38) JAK1GAAPOLBJAK2JAK3
SCHEMBL2298966 0.88 JAK2 (0.40) JAK1GAAJAK2ADORA1PLAU
SCHEMBL2297568 0.87 USP7 (0.32) ADORA1PLGPLAU
SCHEMBL2300053 0.87 GRM2 (0.38)
SCHEMBL2299439 0.86 MET (0.33) SMN1; SMN2METMEN1KMT2A
SCHEMBL2297601 0.86 RECQL (0.34) GAASMN1; SMN2
SCHEMBL2300498 0.86 CYP11B2 (0.36)
SCHEMBL2300651 0.86 CRHR1 (0.40) HSP90AA1HSP90AB1
SCHEMBL3399425 0.85 FYN (0.32) PIM1
SCHEMBL2298471 0.85 L3MBTL1 (0.33)

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 9 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-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 JAK1 3337/4885GAA 1166/4885POLB 1380/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 JAK1 3446/4885GAA 1188/4885POLB 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.