SCHEMBL8735647

SCHEMBL8735647

CC(=O)c1cnc(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)nc1NC1CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 0.84
JAK1 P23458 3/20 0.84
JAK2 O60674 2/20 0.84
JAK3 P52333 2/20 0.84
CHEK1 O14757 2/20 0.71
RET P07949 2/20 0.71
TYK2 P29597 2/20 0.71
FLT3 P36888 2/20 0.71
RPS6KA3 P51812 2/20 0.71
MAPK10 P53779 2/20 0.71
STK4 Q13043 2/20 0.71
STK3 Q13188 2/20 0.71
MARK2 Q7KZI7 2/20 0.71
TBK1 Q9UHD2 2/20 0.71
RPS6KA6 Q9UK32 2/20 0.71
NUAK1 O60285 1/20 0.71
CSF1R P07333 1/20 0.71
FLT4 P35916 1/20 0.71
MAP3K9 P80192 1/20 0.71
ITK Q08881 1/20 0.71

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
SCHEMBL737349 0.92 SYK (1.00) SYKJAK1JAK2JAK3CHEK1
SCHEMBL8737323 0.92 SYK (0.85) SYKJAK1JAK2JAK3CHEK1
SCHEMBL738226 0.88 SYK (1.00) SYKJAK1JAK2JAK3CHEK1
SCHEMBL19767558 0.88 SYK (0.85) SYK
SCHEMBL735485 0.88 SYK (0.93) SYKJAK1JAK2JAK3CHEK1
SCHEMBL8735890 0.87 SYK (0.84) SYKJAK1JAK2JAK3CHEK1
SCHEMBL19767559 0.85 SYK (0.84) SYKJAK1JAK2JAK3CHEK1
SCHEMBL16604301 0.85 SYK (0.84) SYKJAK1JAK2JAK3
SCHEMBL20734854 0.84 SYK (0.85) SYKJAK1JAK2JAK3CHEK1
Cerdulatinib SCHEMBL736734 0.83 SYK (1.00) SYKJAK1JAK2JAK3CHEK1

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-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-20140031361-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2014-01-30 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 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-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 SYK 1/4885JAK1 3/4885JAK2 4/4885
US-20140031361-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 SYK 1/4885JAK1 3/4885JAK2 4/4885

“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.