SCHEMBL29540366

SCHEMBL29540366

O=[N+]([O-])c1cccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.52
GRM4 Q14833 1/20 0.46
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PLK1 P53350 1/20 0.42
IDO1 P14902 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 4/20 0.40
NFE2L2 Q16236 4/20 0.40
ALK Q9UM73 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MET P08581 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
SCHEMBL102324 1.00 PRKCI (0.52) PRKCIGRM4PDE3BPDE3APLK1
Trifluoroacetic Acid SCHEMBL4086259 0.92 PRKCI (0.44) PRKCIGRM4PDE3BPDE3APLK1
SCHEMBL101409 0.87 PRKCI (0.56) PRKCIGRM4PDE3BPDE3AIDO1
SCHEMBL29540652 0.87 PRKCI (0.56) PRKCIGRM4PDE3BPDE3AIDO1
SCHEMBL29540734 0.82 PLK1 (0.45) PRKCIPLK1IDO1MEN1KMT2A
SCHEMBL98795 0.82 PLK1 (0.45) PRKCIPLK1IDO1MEN1KMT2A
SCHEMBL99240 0.81 PRKCI (0.57) PRKCIGRM4MEN1ALKAURKA
SCHEMBL29540569 0.81 PRKCI (0.57) PRKCIGRM4MEN1ALKAURKA
SCHEMBL100648 0.81 PRKCI (0.57) PRKCIGRM4ALKAURKAAURKB
SCHEMBL29540637 0.81 PRKCI (0.57) PRKCIGRM4ALKAURKAAURKB

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 PRKCI 304/4885GRM4 2958/4885PDE3B 2476/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 PRKCI 304/4885GRM4 2958/4885PDE3B 2476/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 PRKCI 304/4885GRM4 2958/4885PDE3B 2476/4885

“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.