SCHEMBL29540405

SCHEMBL29540405

N#CCCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.68
JAK2 O60674 18/20 0.68
JAK3 P52333 13/20 0.68
CIT O14578 1/20 0.61
GAK O14976 1/20 0.61
ROCK2 O75116 1/20 0.61
ULK1 O75385 1/20 0.61
PRKCB P05771 1/20 0.61
RET P07949 1/20 0.61
PRKCA P17252 1/20 0.61
PRKACA P17612 1/20 0.61
MARK3 P27448 1/20 0.61
TYK2 P29597 1/20 0.61
STAT3 P40763 1/20 0.61
CLK1 P49759 1/20 0.61
CSNK1G2 P78368 1/20 0.61
PRKCD Q05655 1/20 0.61
MAP3K1 Q13233 1/20 0.61
ROCK1 Q13464 1/20 0.61
TNK1 Q13470 1/20 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
SCHEMBL98621 1.00 JAK1 (0.68) JAK1JAK2JAK3CITGAK
SCHEMBL99286 0.96 JAK1 (0.68) JAK1JAK2JAK3CITGAK
Trifluoroacetic Acid SCHEMBL4092636 0.91 JAK1 (0.64) JAK1JAK2JAK3CITGAK
SCHEMBL100359 0.90 JAK2 (0.83) JAK1JAK2JAK3CITGAK
SCHEMBL99411 0.89 JAK2 (0.82) JAK1JAK2JAK3CITGAK
SCHEMBL871842 0.88 JAK2 (0.80) JAK1JAK2JAK3CITGAK
SCHEMBL29541207 0.85 JAK2 (0.83) JAK1JAK2JAK3CITGAK
SCHEMBL100609 0.85 JAK2 (0.83) JAK1JAK2JAK3CITGAK
SCHEMBL8521263 0.83 JAK1 (0.62) JAK1JAK2JAK3CITGAK
Propionitrile SCHEMBL28097849 0.82 JAK1 (0.64) JAK1JAK2JAK3CITGAK

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 JAK1 2/4885JAK2 3/4885JAK3 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 JAK1 2/4885JAK2 3/4885JAK3 1/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 JAK1 2/4885JAK2 3/4885JAK3 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.