SCHEMBL5130100

SCHEMBL5130100

C#CCOC(NC=O)c1ccc(Nc2nc(Nc3cccc(CS(N)(=O)=O)c3)ncc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.46
EGFR P00533 6/20 0.45
BTK Q06187 3/20 0.45
ITK Q08881 3/20 0.41
CCNT1 O60563 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
NEK2 P51955 1/20 0.40
AURKA O14965 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 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
SCHEMBL4204794 0.84 SYK (0.58) SYKEGFRBTKITKCDK2
SCHEMBL4199946 0.79 SYK (0.50) SYKEGFRBTKITKCCNT1
SCHEMBL4209984 0.75 SYK (0.49) SYKEGFRBTKITKCDK2
SCHEMBL4213170 0.74 SYK (0.49) SYKEGFRNEK2AURKAJAK1
SCHEMBL4970415 0.73 AURKA (0.55) SYKEGFRBTKITKCDK2
SCHEMBL10187811 0.73 SYK (0.59) SYKBTKITKCCNT1CCNE1
SCHEMBL1474794 0.73 SYK (0.67) SYKEGFRBTKITKCCNT1
SCHEMBL4972364 0.70 JAK3 (0.55) SYKEGFRBTKITKCCNT1
SCHEMBL1473979 0.69 JAK3 (0.52) SYKEGFRBTKITKCCNT1
SCHEMBL4973658 0.69 JAK3 (0.56) SYKEGFRBTKITKCCNT1

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-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
US-8193197-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-08-14 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-20120213795-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK2, JAK1, JAK3 SYK 42/4885EGFR 402/4885BTK 9/4885
US-20080194603-A1 Prevent transplant rejection; autoimmune diseases JAK1, JAK3, JAK2 SYK 162/4885EGFR 1582/4885BTK 27/4885

“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.