SCHEMBL24392295

SCHEMBL24392295

Cc1cc(Br)n2ncnc(N3CCC(N(C)S(N)(=O)=O)CC3)c12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ PIK3CD O00329 6/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ KIT P10721 2/20 0.32
▸ OPRK1 P41145 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ CCR2 P41597 1/20 0.31

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
SCHEMBL24391941 0.89 JAK2 (0.35) JAK2JAK3JAK1PIK3CDMEN1
SCHEMBL24391613 0.87 JAK2 (0.34) JAK2JAK3JAK1PIK3CDMEN1
SCHEMBL24391905 0.87 JAK2 (0.34) JAK2JAK3JAK1PIK3CDMEN1
SCHEMBL24391973 0.85 ENPP1 (0.34) JAK2JAK3JAK1PIK3CDMEN1
SCHEMBL24391628 0.85 JAK2 (0.36) JAK2JAK3JAK1PIK3CD
SCHEMBL24392302 0.85 — —
SCHEMBL24392257 0.80 PDE2A (0.39) PIK3CDHTR2AHTR2CKIT
SCHEMBL24391922 0.80 JAK2 (0.36) JAK2JAK3JAK1PIK3CDMEN1
SCHEMBL24392267 0.78 IRAK4 (0.44) JAK2JAK3JAK1PIK3CDHTR2A
SCHEMBL24391934 0.77 PIK3CD (0.40) JAK2JAK3JAK1PIK3CDCCR2

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
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — WO disclosed
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — 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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 JAK2 3057/4885JAK3 4026/4885JAK1 2683/4885

“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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