SCHEMBL29540985

SCHEMBL29540985

CC(C)(C#N)CCCCn1cc(-c2ccnc3[nH]ccc23)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.56
INCENP Q9NQS7 2/20 0.56
AURKA O14965 1/20 0.56
TPX2 Q9ULW0 1/20 0.56
GRM4 Q14833 1/20 0.47
JAK2 O60674 17/20 0.47
JAK1 P23458 10/20 0.47
JAK3 P52333 6/20 0.47
TYK2 P29597 3/20 0.47
ROCK2 O75116 1/20 0.42
PRKCA P17252 1/20 0.42
PRKACA P17612 1/20 0.42
FLT3 P36888 1/20 0.42
GSK3B P49841 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCD Q05655 1/20 0.42
ROCK1 Q13464 1/20 0.42
HDAC6 Q9UBN7 6/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC3 O15379 1/20 0.41

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
SCHEMBL100987 1.00 AURKB (0.56) AURKBINCENPAURKATPX2GRM4
SCHEMBL100379 0.83 AURKA (0.57) AURKBINCENPAURKATPX2GRM4
SCHEMBL100283 0.83 AURKB (0.59) AURKBINCENPAURKATPX2GRM4
SCHEMBL14052556 0.83 AURKB (0.65) AURKBINCENPAURKATPX2GRM4
SCHEMBL19062146 0.81 AURKB (0.62) AURKBINCENPAURKATPX2GRM4
SCHEMBL30009412 0.81 AURKB (0.62) AURKBINCENPAURKATPX2GRM4
SCHEMBL99373 0.81 AURKB (0.62) AURKBINCENPAURKATPX2GRM4
SCHEMBL100071 0.80 AURKB (0.63) AURKBINCENPAURKATPX2GRM4
SCHEMBL20879725 0.79 AURKB (0.70) AURKBINCENPAURKATPX2GRM4
SCHEMBL23543160 0.77 AURKB (0.66) AURKBINCENPAURKATPX2GRM4

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 198/4885INCENP 4449/4885AURKA 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 AURKB 198/4885INCENP 4449/4885AURKA 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 AURKB 198/4885INCENP 4449/4885AURKA 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.