SCHEMBL2717865

SCHEMBL2717865

CCSc1nc(OCCCNC(=O)OC(C)(C)C)c(C#N)c(SC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 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
SCHEMBL2718415 0.84 CA12 (0.41) CA12CA1CA2CA9HTT
SCHEMBL10272075 0.74 HTT (0.38) HTTL3MBTL1STK17BSTK17AALDH1A1
SCHEMBL10272076 0.72 CA1 (0.41) CA12CA1CA2CA9STK17B
SCHEMBL21880312 0.67 CA12 (0.53) CA12CA1CA2CA9STK17B
SCHEMBL24742482 0.67 CA12 (0.47) CA12CA1CA2CA9STK17B
SCHEMBL17563559 0.67 BCHE (0.44) HTTSTK17BSTK17AALDH1A1TDP1
SCHEMBL25080803 0.67 CA12 (0.65) CA12CA1CA2CA9ALDH1A1
SCHEMBL17577383 0.66 BCHE (0.44) HTTSTK17BSTK17AALDH1A1TDP1
SCHEMBL18467418 0.66 STK17B (0.44) HTTSTK17BSTK17AALDH1A1TDP1
SCHEMBL17563558 0.65 STK17B (0.43) HTTSTK17BSTK17AALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317029-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-11-28 US disclosed
WO-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
WO-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 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 (1 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-20130317029-A1 OXYPYRIMIDINES AS SYK MODULATORS SYK, BTK, FYN CA12 4872/4885CA1 4673/4885CA2 4251/4885

“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.