SCHEMBL2297981

SCHEMBL2297981

CCCCCn1c(O)nc2ncc(Cl)c(-c3cccc(OC(F)(F)F)c3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.39
CTSA P10619 1/20 0.39
TRPC5 Q9UL62 7/20 0.39
ACLY P53396 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
F2RL3 Q96RI0 2/20 0.36
DYRK1A Q13627 2/20 0.36
ADORA2A P29274 1/20 0.35
GAK O14976 1/20 0.35
STK10 O94804 1/20 0.35
YES1 P07947 1/20 0.35
RET P07949 1/20 0.35
PDGFRB P09619 1/20 0.35
CSNK2A2 P19784 1/20 0.35
FLT3 P36888 1/20 0.35
ACVR1 Q04771 1/20 0.35
KCNH2 Q12809 1/20 0.35
PKN1 Q16512 1/20 0.35
PIM3 Q86V86 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
SCHEMBL2296499 0.90 MERTK (0.38) ACLYF2RL3
SCHEMBL2298970 0.89 TLR8 (0.44)
SCHEMBL2297390 0.84 TLR8 (0.43)
SCHEMBL2302534 0.84 TLR8 (0.44) ADORA2A
SCHEMBL2302606 0.84 GCGR (0.40)
SCHEMBL2295859 0.83 TP53 (0.47)
SCHEMBL2298814 0.83 KDM4E (0.42)
SCHEMBL3397379 0.82 NR4A2 (0.37) KCNH2
SCHEMBL2300092 0.82 NR1H2 (0.36) PDGFRBKCNH2
SCHEMBL3394667 0.81 LMNA (0.41)

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 4 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-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 PIM1 1559/4885CTSA 2255/4885TRPC5 2924/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 PIM1 1387/4885CTSA 2050/4885TRPC5 2984/4885

“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.