SCHEMBL2298966

SCHEMBL2298966

CCC(CC)n1c(O)nc2ncc(Cl)c(-c3cccc(OC)c3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
PLAU P00749 1/20 0.39
ADORA1 P30542 2/20 0.38
GCGR P47871 1/20 0.37
FYN P06241 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
ADORA2A P29274 1/20 0.36
AURKA O14965 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 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
SCHEMBL2297974 0.88 CTSA (0.40) ADORA1DYRK1A
SCHEMBL2300498 0.88 CYP11B2 (0.36) FYN
SCHEMBL2302530 0.87 DHFR (0.37) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL2302602 0.87 ESR1 (0.36) ADORA1GCGRFYNADORA2AAURKA
SCHEMBL2300115 0.86 TGFBR1 (0.35) DYRK1ASLC16A3SLC16A1
SCHEMBL2297601 0.86 RECQL (0.34) GCGRMAPTGAAADORA2ASMN1; SMN2
SCHEMBL2300651 0.85 CRHR1 (0.40)
SCHEMBL3394660 0.84 CDK8 (0.41) PLAUNPC1
SCHEMBL2298865 0.83 JAK1 (0.38) JAK2JAK1PLAUADORA1FYN
SCHEMBL3398945 0.83 CDK8 (0.34) PLAUAURKA

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 JAK2 3348/4885JAK1 3337/4885GRIN1 2428/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 JAK2 3478/4885JAK1 3446/4885GRIN1 2378/4885

“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.