SCHEMBL29540641

SCHEMBL29540641

CC(C(=O)Nc1cccc2ccccc12)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.51
HDAC6 Q9UBN7 9/20 0.51
JAK1 P23458 9/20 0.51
JAK3 P52333 7/20 0.51
HDAC1 Q13547 6/20 0.51
TYK2 P29597 4/20 0.51
HDAC3 O15379 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC7 Q8WUI4 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
MELK Q14680 2/20 0.44
DAPK3 O43293 2/20 0.43
PAK4 O96013 2/20 0.43
ABL1 P00519 2/20 0.43
RET P07949 2/20 0.43

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
SCHEMBL101183 1.00 JAK2 (0.51) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL29541184 0.89 JAK2 (0.49) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL99770 0.89 JAK2 (0.49) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL100513 0.85 JAK3 (0.53) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL29540561 0.85 JAK3 (0.53) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL13695696 0.81 JAK2 (0.59) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL100036 0.81 JAK2 (0.55) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL100736 0.80 JAK2 (0.57) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL29540968 0.79 JAK3 (0.55) JAK2HDAC6JAK1JAK3HDAC1
SCHEMBL100499 0.79 JAK3 (0.55) JAK2HDAC6JAK1JAK3HDAC1

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 JAK2 3/4885HDAC6 2492/4885JAK1 2/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 JAK2 3/4885HDAC6 2492/4885JAK1 2/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 JAK2 3/4885HDAC6 2492/4885JAK1 2/4885

“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.