SCHEMBL2297839

SCHEMBL2297839

CC(C)n1c(O)nc2ncc(Cl)c(-c3ccc(F)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.37
GCGR P47871 4/20 0.34
MET P08581 2/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
NR3C1 P04150 1/20 0.32
MAPK14 Q16539 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
RPS6KB1 P23443 1/20 0.31

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
SCHEMBL2298772 0.88 GCGR (0.34) GCGRMETMEN1RAB9AKMT2A
SCHEMBL2298547 0.88 GCGR (0.34) GCGRMETMEN1RAB9AKMT2A
SCHEMBL2301664 0.87 TGFBR1 (0.35) GCGRMETMEN1RAB9AKMT2A
SCHEMBL2299439 0.87 MET (0.33) GCGRMETMEN1RAB9AKMT2A
SCHEMBL2300398 0.86 PTGES (0.35)
SCHEMBL2298510 0.85 MET (0.34) GCGRMETMEN1RAB9AKMT2A
SCHEMBL2301732 0.85 MET (0.32) GCGRMETMEN1RAB9AKMT2A
SCHEMBL2300003 0.84 GCGR (0.33) GCGRMETMEN1RAB9AKMT2A
SCHEMBL2302270 0.84 GCGR (0.33) GCGRMETMEN1RAB9AKMT2A
SCHEMBL16503263 0.84 TGFBR1 (0.34) GCGRMETMEN1RAB9AKMT2A

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 7 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-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 ACLY 455/4885GCGR 1346/4885MET 3400/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 ACLY 434/4885GCGR 1276/4885MET 3492/4885

“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.