SCHEMBL29540965

SCHEMBL29540965

CC(C(=O)Nc1ccccc1)n1cc(-c2ccnc3[nH]ccc23)cn1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CIT O14578 14/20 0.57
GRM4 Q14833 1/20 0.54
AURKA O14965 5/20 0.53
AURKB Q96GD4 5/20 0.53
INCENP Q9NQS7 2/20 0.53
TPX2 Q9ULW0 1/20 0.53
LYN P07948 1/20 0.49
IGF1R P08069 1/20 0.49
MET P08581 1/20 0.49
ROCK1 Q13464 1/20 0.49

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
SCHEMBL99683 1.00 CIT (0.57) CITGRM4AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4099438 0.94 CIT (0.52) CITGRM4AURKAAURKBINCENP
SCHEMBL29540177 0.86 GRM4 (0.56) CITGRM4AURKAAURKBINCENP
SCHEMBL102702 0.86 GRM4 (0.56) CITGRM4AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4086844 0.81 GRM4 (0.51) CITGRM4AURKAAURKBINCENP
SCHEMBL101789 0.80 GRM4 (0.62) CITGRM4AURKAAURKBINCENP
SCHEMBL29540620 0.80 GRM4 (0.62) CITGRM4AURKAAURKBINCENP
SCHEMBL99923 0.80 AURKA (0.55) CITGRM4AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4087373 0.78 GRM4 (0.53) CITGRM4AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL5134408 0.78 AURKB (0.51) CITGRM4AURKAAURKBINCENP

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 CIT 1775/4885GRM4 2958/4885AURKA 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 CIT 1775/4885GRM4 2958/4885AURKA 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 CIT 1775/4885GRM4 2958/4885AURKA 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.