SCHEMBL29540565

SCHEMBL29540565

CC(CCn1ccnc1)n1cc(-c2ccnc3[nH]ccc23)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.55
AURKA O14965 2/20 0.55
INCENP Q9NQS7 2/20 0.55
TPX2 Q9ULW0 2/20 0.55
GRM4 Q14833 1/20 0.46
PRKCI P41743 4/20 0.43
NUDT1 P36639 2/20 0.42
JAK2 O60674 5/20 0.42
JAK1 P23458 4/20 0.42
JAK3 P52333 4/20 0.42
TYK2 P29597 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL101211 1.00 AURKB (0.55) AURKBAURKAINCENPTPX2GRM4
SCHEMBL100267 0.83 AURKB (0.60) AURKBAURKAINCENPTPX2GRM4
SCHEMBL100113 0.83 AURKB (0.60) AURKBAURKAINCENPTPX2GRM4
SCHEMBL99168 0.83 AURKB (0.60) AURKBAURKAINCENPTPX2GRM4
SCHEMBL99835 0.83 AURKB (0.56) AURKBAURKAINCENPTPX2GRM4
SCHEMBL99958 0.82 AURKB (0.59) AURKBAURKAINCENPTPX2GRM4
SCHEMBL22930859 0.81 AURKB (0.58) AURKBAURKAINCENPTPX2GRM4
SCHEMBL14500069 0.81 AURKB (0.63) AURKBAURKAINCENPTPX2GRM4
SCHEMBL29541199 0.81 AURKB (0.63) AURKBAURKAINCENPTPX2GRM4
SCHEMBL14500070 0.81 AURKB (0.63) AURKBAURKAINCENPTPX2GRM4

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 AURKB 198/4885AURKA 485/4885INCENP 4449/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 AURKB 198/4885AURKA 485/4885INCENP 4449/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 AURKB 198/4885AURKA 485/4885INCENP 4449/4885

“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.