SCHEMBL29557228

SCHEMBL29557228

CNS(=O)(=O)c1cccc(Nc2nc(N)ncc2F)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 18/20 0.60
▸ BRAF P15056 8/20 0.59
▸ BCL6 P41182 1/20 0.58
▸ EGFR P00533 1/20 0.53
▸ SYK P43405 1/20 0.50

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
SCHEMBL309668 0.87 TNNI3K (0.61) TNNI3KBRAFEGFR
SCHEMBL4128544 0.84 JAK1 (0.63) TNNI3KBRAFEGFRSYK
SCHEMBL4001783 0.79 JAK3 (0.61) TNNI3KBRAFEGFRSYK
SCHEMBL27631427 0.77 SYK (0.74) BRAFBCL6SYK
SCHEMBL19482711 0.76 CDK2 (0.52) TNNI3KEGFRSYK
SCHEMBL9986007 0.75 TNNI3K (0.60) TNNI3KBRAFEGFR
SCHEMBL301265 0.74 JAK1 (0.60) TNNI3KBRAFEGFRSYK
SCHEMBL4005818 0.74 JAK3 (0.71) SYK
SCHEMBL30763999 0.74 BRD4 (0.52) TNNI3KSYK
SCHEMBL29176792 0.74 BRD4 (0.52) TNNI3KSYK

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-11827628-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-11-28 — — US disclosed
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-03-31 — — 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-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 TNNI3K 218/4885BRAF 226/4885BCL6 194/4885
US-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 TNNI3K 218/4885BRAF 226/4885BCL6 194/4885

“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.

Send feedback