SCHEMBL26806544

SCHEMBL26806544

Cc1cccc(C)c1-c1cc(OC2CCNCC2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 4/20 0.41
▸ JAK2 O60674 3/20 0.41
▸ TYK2 P29597 3/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ WNT1 P04628 3/20 0.36
▸ GSK3B P49841 3/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR1A P08908 3/20 0.34
▸ HTR7 P34969 3/20 0.34
▸ SYK P43405 2/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ PIM1 P11309 3/20 0.33
▸ PIM3 Q86V86 2/20 0.33
▸ PIM2 Q9P1W9 2/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33

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
SCHEMBL26815354 0.97 JAK1 (0.39) JAK1JAK2TYK2JAK3WNT1
SCHEMBL24309418 0.95 PIM1 (0.39) JAK1JAK2TYK2JAK3TSHR
SCHEMBL26806510 0.93 JAK2 (0.36) JAK1JAK2TYK2JAK3WNT1
SCHEMBL29566286 0.91 TSHR (0.36) JAK1WNT1GSK3BDYRK1ATSHR
SCHEMBL24309400 0.91 TSHR (0.36) JAK1WNT1GSK3BDYRK1ATSHR
SCHEMBL26806537 0.91 CDK1 (0.38) JAK1GSK3BTSHRSMN1; SMN2HTR1A
SCHEMBL26815402 0.90 PIM1 (0.45) TYK2TSHRSMN1; SMN2IRAK4PIM1
SCHEMBL26806515 0.86 TSHR (0.37) JAK2TSHRSMN1; SMN2HTR1AHTR7
SCHEMBL26806559 0.86 IRAK4 (0.37) JAK3TSHRSMN1; SMN2HTR1AHTR7
SCHEMBL24310069 0.86 NMT1 (0.36) JAK1JAK2TYK2JAK3DYRK1A

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B JAK1 3913/4885JAK2 3498/4885TYK2 4838/4885

“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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