SCHEMBL11969792

SCHEMBL11969792

O=S(=O)(C1CC1)N1Cc2ccc(Nc3nc(Cl)ncc3F)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.45
FLT3 P36888 3/20 0.45
SYK P43405 2/20 0.43
EGFR P00533 3/20 0.43
BTK Q06187 2/20 0.43
JAK3 P52333 1/20 0.43
KMT2A Q03164 1/20 0.43
KIT P10721 1/20 0.41
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 1/20 0.40
BCL6 P41182 4/20 0.40
BRD4 O60885 3/20 0.40

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
SCHEMBL11970085 0.87 JAK3 (0.56) CHEK1FLT3SYKEGFRBTK
SCHEMBL4973526 0.81 EGFR (0.59) CHEK1FLT3SYKEGFRBTK
SCHEMBL4975493 0.79 EGFR (0.59) CHEK1FLT3SYKEGFRBTK
SCHEMBL4971601 0.79 JAK3 (0.71) CHEK1FLT3SYKEGFRBTK
SCHEMBL11969795 0.76 SYK (0.37) SYKEGFRKMT2AROCK2ROCK1
SCHEMBL14029710 0.76 EGFR (0.64) CHEK1FLT3SYKEGFRBTK
SCHEMBL653332 0.74 SMN1; SMN2 (0.46) SYKEGFRBTKROCK2ROCK1
SCHEMBL1115866 0.72 JAK2 (0.44) FLT3SYKBTKJAK3KMT2A
SCHEMBL656737 0.71 SYK (0.55) FLT3SYKBTKJAK3KMT2A
SCHEMBL14441067 0.71 JAK3 (0.69) FLT3EGFRBTKJAK3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729087-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2014-05-20 US disclosed
US-20120213795-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-08-23 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 (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-20120213795-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK2, JAK1, JAK3 CHEK1 615/4885FLT3 32/4885SYK 42/4885

“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.