SCHEMBL29540739

SCHEMBL29540739

N#Cc1cc(-n2cc(-c3ccnc4[nH]ccc34)cn2)ccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.58
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
INCENP Q9NQS7 1/20 0.48
TPX2 Q9ULW0 1/20 0.48
JAK2 O60674 13/20 0.43
JAK1 P23458 11/20 0.43
JAK3 P52333 3/20 0.43
TYK2 P29597 2/20 0.43
NUDT1 P36639 1/20 0.40

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
SCHEMBL99768 1.00 GRM4 (0.58) GRM4AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4096454 0.94 GRM4 (0.54) GRM4AURKAAURKBINCENPTPX2
SCHEMBL99357 0.92 GRM4 (0.58) GRM4AURKAAURKBINCENPTPX2
SCHEMBL100371 0.88 GRM4 (0.65) GRM4AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4093170 0.87 GRM4 (0.54) GRM4AURKAAURKBINCENPTPX2
SCHEMBL100943 0.86 GRM4 (0.55) GRM4AURKAAURKBINCENPTPX2
Trifluoroacetic Acid SCHEMBL4086836 0.85 GRM4 (0.57) GRM4AURKAAURKBINCENPTPX2
SCHEMBL101532 0.85 GRM4 (0.61) GRM4AURKAAURKBINCENPTPX2
SCHEMBL29541224 0.85 GRM4 (0.61) GRM4AURKAAURKBINCENPTPX2
SCHEMBL100366 0.83 GRM4 (0.55) GRM4AURKAAURKBINCENPTPX2

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

“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.