SCHEMBL24392267

SCHEMBL24392267

Cc1ccn2ncnc(N3CCC(N(C)S(N)(=O)=O)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 5/20 0.44
▸ JAK2 O60674 6/20 0.37
▸ JAK3 P52333 3/20 0.37
▸ JAK1 P23458 3/20 0.37
▸ CHRM4 P08173 1/20 0.36
▸ HTR2A P28223 3/20 0.34
▸ HTR2C P28335 3/20 0.34
▸ EGFR P00533 2/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ERBB2 P04626 1/20 0.32
▸ PIK3CD O00329 1/20 0.32

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
SCHEMBL24392477 0.86 JAK2 (0.36) IRAK4JAK2JAK3JAK1HTR2A
SCHEMBL24392256 0.84 IRAK4 (0.40) IRAK4EGFRFLT1FLT4KDR
SCHEMBL24391894 0.82 CHRM4 (0.52) IRAK4JAK2JAK3JAK1CHRM4
SCHEMBL24391678 0.81 JAK2 (0.35) JAK2JAK3JAK1CHRM4HTR2A
SCHEMBL24392301 0.81 ACKR3 (0.44) JAK2JAK3HTR2AHTR2C
SCHEMBL24392244 0.81 ENPP1 (0.47) IRAK4CHRM4EGFRFLT1FLT4
SCHEMBL24391941 0.80 JAK2 (0.35) JAK2JAK3JAK1HTR2AHTR2C
SCHEMBL24391928 0.80 JAK2 (0.36) JAK2JAK3JAK1CHRM4
SCHEMBL24391613 0.78 JAK2 (0.34) JAK2JAK3JAK1HTR2AHTR2C
SCHEMBL24392295 0.78 JAK2 (0.34) JAK2JAK3JAK1HTR2AHTR2C

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 IRAK4 3547/4885JAK2 3057/4885JAK3 4026/4885

“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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