SCHEMBL29541069

SCHEMBL29541069

NC(=O)c1ccc(C(F)(F)F)c(-n2cc(-c3ccnc4[nH]ccc34)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.54
CHUK O15111 1/20 0.54
PRKCI P41743 2/20 0.54
GRM4 Q14833 1/20 0.51
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
TPX2 Q9ULW0 1/20 0.47
JAK1 P23458 5/20 0.45
NUDT1 P36639 2/20 0.42
JAK2 O60674 5/20 0.41
NEK1 Q96PY6 1/20 0.41
CIT O14578 1/20 0.41
NTRK1 P04629 1/20 0.39
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL101196 1.00 IKBKB (0.54) IKBKBCHUKPRKCIGRM4AURKA
Trifluoroacetic Acid SCHEMBL4088658 0.96 PRKCI (0.51) IKBKBCHUKPRKCIGRM4AURKA
SCHEMBL4088661 0.84 GRM4 (0.49) GRM4AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4086078 0.81 JAK1 (0.49) GRM4AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4088857 0.81 GRM4 (0.61) IKBKBCHUKPRKCIGRM4AURKA
SCHEMBL29541235 0.81 GRM4 (0.53) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL101011 0.81 GRM4 (0.53) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL29540857 0.81 GRM4 (0.66) IKBKBCHUKPRKCIGRM4AURKA
SCHEMBL100768 0.81 GRM4 (0.66) IKBKBCHUKPRKCIGRM4AURKA
SCHEMBL101329 0.76 GRM4 (0.51) PRKCIGRM4AURKAAURKBINCENP

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 IKBKB 181/4885CHUK 42/4885PRKCI 304/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 IKBKB 181/4885CHUK 42/4885PRKCI 304/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 IKBKB 181/4885CHUK 42/4885PRKCI 304/4885

“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.