SCHEMBL29541085

SCHEMBL29541085

O=[N+]([O-])c1cc(C(F)(F)F)cc(Cl)c1-n1cc(-c2ccnc3[nH]ccc23)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.48
AURKB Q96GD4 2/20 0.44
AURKA O14965 1/20 0.44
INCENP Q9NQS7 1/20 0.44
TPX2 Q9ULW0 1/20 0.44
JAK1 P23458 5/20 0.40
NUDT1 P36639 3/20 0.39
JAK2 O60674 4/20 0.38
JAK3 P52333 2/20 0.37
TYK2 P29597 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL99887 1.00 GRM4 (0.48) GRM4AURKBAURKAINCENPTPX2
Trifluoroacetic Acid SCHEMBL4093219 0.95 GRM4 (0.46) GRM4AURKBAURKAINCENPTPX2
SCHEMBL101071 0.89 GRM4 (0.57) GRM4AURKBAURKAINCENPTPX2
SCHEMBL29540686 0.89 GRM4 (0.57) GRM4AURKBAURKAINCENPTPX2
Trifluoroacetic Acid SCHEMBL4097356 0.85 GRM4 (0.53) GRM4AURKBAURKAINCENPTPX2
SCHEMBL2184457 0.80 GRM4 (0.44) GRM4AURKBAURKAINCENPTPX2
SCHEMBL29540961 0.80 GRM4 (0.48) GRM4AURKBAURKAINCENPTPX2
SCHEMBL99402 0.80 GRM4 (0.48) GRM4AURKBAURKAINCENPTPX2
SCHEMBL99003 0.80 GRM4 (0.55) GRM4AURKBAURKAINCENPTPX2
SCHEMBL29540959 0.80 GRM4 (0.55) GRM4AURKBAURKAINCENPTPX2

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 GRM4 2958/4885AURKB 198/4885AURKA 485/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 GRM4 2958/4885AURKB 198/4885AURKA 485/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 GRM4 2958/4885AURKB 198/4885AURKA 485/4885

“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.