SCHEMBL30054745

SCHEMBL30054745

C[C@@H](CCC#N)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.66
JAK1 P23458 18/20 0.66
JAK3 P52333 13/20 0.63
TYK2 P29597 5/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC3 O15379 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
NCOR2 Q9Y618 1/20 0.63
RET P07949 3/20 0.61
ROCK1 Q13464 3/20 0.61
DAPK3 O43293 2/20 0.61
PAK4 O96013 2/20 0.61
ABL1 P00519 2/20 0.61
LTK P29376 2/20 0.61
CSNK1A1 P48729 2/20 0.61

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
SCHEMBL102143 1.00 JAK2 (0.66) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL29540488 1.00 JAK2 (0.66) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL101171 1.00 JAK2 (0.66) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL18638167 0.94 JAK2 (0.69) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL101254 0.89 JAK2 (0.71) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL29541180 0.89 JAK2 (0.71) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL103295 0.89 JAK2 (0.71) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL2381207 0.89 JAK2 (0.71) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL31291530 0.89 JAK2 (0.71) JAK2JAK1JAK3TYK2HDAC6
SCHEMBL30771874 0.89 JAK2 (0.71) JAK2JAK1JAK3TYK2HDAC6

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
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3/4885JAK1 2/4885JAK3 1/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885JAK3 1/4885

“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.