SCHEMBL29540861

SCHEMBL29540861

Cc1nn(-c2ccnc3[nH]ccc23)cc1-c1ccc(S(=O)(=O)N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 6/20 0.58
CHEK1 O14757 4/20 0.58
PIK3CA P42336 2/20 0.58
NEK1 Q96PY6 6/20 0.51
IKBKB O14920 7/20 0.46
CHUK O15111 6/20 0.46
MTOR P42345 1/20 0.44
PRKDC P78527 1/20 0.44
KCNH2 Q12809 1/20 0.44
ATM Q13315 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.41
ATRIP Q8WXE1 2/20 0.41
PRKCI P41743 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL101575 1.00 ATR (0.58) ATRCHEK1PIK3CANEK1IKBKB
SCHEMBL16692485 0.84 PRKCI (0.48) ATRCHEK1PIK3CAIKBKBCHUK
SCHEMBL98273 0.81 AURKB (0.56) IKBKBCHUKPRKCIROCK1
SCHEMBL29540441 0.81 AURKB (0.56) IKBKBCHUKPRKCIROCK1
SCHEMBL29540628 0.79 PRKCI (0.44) IKBKBCHUKPRKCIROCK1
SCHEMBL99826 0.79 PRKCI (0.44) IKBKBCHUKPRKCIROCK1
SCHEMBL29540640 0.78 CIT (0.48) ROCK1
SCHEMBL98969 0.78 CIT (0.48) ROCK1
SCHEMBL99682 0.77 PRKCI (0.49) IKBKBCHUKPIK3C3PRKCIROCK1
SCHEMBL29541194 0.77 PRKCI (0.49) IKBKBCHUKPIK3C3PRKCIROCK1

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 ATR 610/4885CHEK1 493/4885PIK3CA 72/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ATR 610/4885CHEK1 493/4885PIK3CA 72/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ATR 610/4885CHEK1 493/4885PIK3CA 72/4885

“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.