SCHEMBL29540505

SCHEMBL29540505

CC(c1ccc(S(C)(=O)=O)cc1)n1cc(-c2ccnc3[nH]ccc23)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.54
▸ AURKB Q96GD4 1/20 0.54
▸ INCENP Q9NQS7 1/20 0.54
▸ TPX2 Q9ULW0 1/20 0.54
▸ IKBKB O14920 8/20 0.48
▸ CHUK O15111 7/20 0.48
▸ CIT O14578 1/20 0.48
▸ GRM4 Q14833 1/20 0.47
▸ JAK2 O60674 4/20 0.47
▸ JAK1 P23458 4/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ NEK1 Q96PY6 4/20 0.47
▸ ROCK1 Q13464 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ CHEK1 O14757 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ATR Q13535 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
SCHEMBL100470 1.00 AURKA (0.54) AURKAAURKBINCENPTPX2IKBKB
SCHEMBL29540620 0.85 GRM4 (0.62) AURKAAURKBINCENPTPX2IKBKB
SCHEMBL101789 0.85 GRM4 (0.62) AURKAAURKBINCENPTPX2IKBKB
SCHEMBL27762489 0.83 AURKB (0.53) AURKAAURKBINCENPTPX2IKBKB
SCHEMBL99403 0.82 AURKB (0.55) AURKAAURKBINCENPTPX2IKBKB
SCHEMBL29540831 0.82 AURKB (0.55) AURKAAURKBINCENPTPX2IKBKB
SCHEMBL100507 0.82 AURKB (0.55) AURKAAURKBINCENPTPX2IKBKB
Trifluoroacetic Acid SCHEMBL4087373 0.79 GRM4 (0.53) AURKAAURKBINCENPTPX2IKBKB
SCHEMBL4792437 0.78 IKBKB (0.74) AURKBIKBKBCHUKCITJAK2
SCHEMBL101406 0.78 AURKB (0.54) AURKAAURKBINCENPTPX2IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 — — US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 — — US disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 — — 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 (3 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 AURKA 485/4885AURKB 198/4885INCENP 4449/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 AURKA 485/4885AURKB 198/4885INCENP 4449/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 AURKA 485/4885AURKB 198/4885INCENP 4449/4885

“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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