SCHEMBL29540508

SCHEMBL29540508

N#CCC(=O)Nc1cccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.48
JAK2 O60674 5/20 0.48
JAK1 P23458 6/20 0.47
PRKCI P41743 1/20 0.45
BTK Q06187 1/20 0.45
CDK8 P49336 3/20 0.43
TYK2 P29597 1/20 0.43
BRAF P15056 4/20 0.42
GRM4 Q14833 1/20 0.40
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MELK Q14680 1/20 0.39

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
SCHEMBL100093 1.00 JAK3 (0.48) JAK3JAK2JAK1PRKCIBTK
Trifluoroacetic Acid SCHEMBL4092161 0.94 JAK3 (0.43) JAK3JAK2JAK1PRKCIBTK
SCHEMBL29540587 0.85 JAK3 (0.48) JAK3JAK2JAK1BTKCDK8
SCHEMBL101336 0.85 JAK3 (0.48) JAK3JAK2JAK1BTKCDK8
SCHEMBL100532 0.80 PRKCI (0.51) JAK3JAK2JAK1PRKCICDK8
Trifluoroacetic Acid SCHEMBL4092015 0.80 JAK3 (0.44) JAK3JAK2JAK1BTKTYK2
SCHEMBL4092166 0.80 PRKCI (0.39) JAK3PRKCICDK8BRAFGRM4
SCHEMBL98775 0.79 GRM5 (0.56) JAK3PRKCIBRAFGRM4
Trifluoroacetic Acid SCHEMBL4082559 0.78 PRKCI (0.43) JAK3JAK2JAK1PRKCICDK8
SCHEMBL4099697 0.78 PRKCI (0.46) JAK3JAK1PRKCIBRAFGRM4

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 4 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
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 JAK3 1/4885JAK2 3/4885JAK1 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 JAK3 1/4885JAK2 3/4885JAK1 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 JAK3 1/4885JAK2 3/4885JAK1 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.