SCHEMBL24853313

SCHEMBL24853313

Cn1cc(Nc2nccc(-c3ccc(C(O)NCC#N)cc3)n2)cn1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.61
▸ JAK1 P23458 5/20 0.61
▸ TYK2 P29597 5/20 0.61
▸ JAK3 P52333 5/20 0.61
▸ STAT3 P40763 1/20 0.61
▸ MAP3K14 Q99558 1/20 0.51
▸ BTK Q06187 8/20 0.47
▸ MAPK1 P28482 5/20 0.47
▸ MAPK3 P27361 3/20 0.47
▸ CYP3A4 P08684 1/20 0.44
▸ HRH2 P25021 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CD69 Q07108 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.44
▸ MAP3K19 Q56UN5 1/20 0.44
▸ CDKL2 Q92772 1/20 0.44
▸ RIOK1 Q9BRS2 1/20 0.44
▸ RIOK2 Q9BVS4 1/20 0.44
▸ BMP2K Q9NSY1 1/20 0.44

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
SCHEMBL27452008 0.85 JAK1 (0.51) JAK2JAK1TYK2JAK3STAT3
SCHEMBL27452000 0.83 JAK1 (0.47) JAK2JAK1TYK2JAK3STAT3
SCHEMBL23275720 0.81 JAK2 (0.64) JAK2JAK1TYK2JAK3STAT3
SCHEMBL23275663 0.80 JAK2 (0.68) JAK2JAK1TYK2JAK3STAT3
SCHEMBL18897787 0.79 JAK2 (0.69) JAK2JAK1TYK2JAK3STAT3
SCHEMBL27228445 0.78 JAK3 (0.76) JAK2JAK1TYK2JAK3STAT3
SCHEMBL23281883 0.78 JAK2 (0.60) JAK2JAK1TYK2JAK3STAT3
SCHEMBL23275741 0.76 JAK2 (0.59) JAK2JAK1TYK2JAK3STAT3
SCHEMBL23275721 0.76 JAK2 (0.52) JAK2JAK1TYK2JAK3STAT3
SCHEMBL23275844 0.76 JAK2 (0.52) JAK2JAK1TYK2JAK3STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002362-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-01-05 — — 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-20230002362-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885TYK2 17/4885

“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.

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