SCHEMBL29540515

SCHEMBL29540515

COC(=O)c1cccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.53
PRKCI P41743 2/20 0.51
NEK1 Q96PY6 5/20 0.49
GRM4 Q14833 1/20 0.45
AXL P30530 1/20 0.44
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
ABL1 P00519 3/20 0.41
BCR P11274 3/20 0.41
SRC P12931 1/20 0.41
CREBBP Q92793 1/20 0.41
AURKB Q96GD4 2/20 0.41
AURKA O14965 1/20 0.41
INCENP Q9NQS7 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
ROCK2 O75116 2/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40

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
SCHEMBL101730 1.00 CDK8 (0.53) CDK8PRKCINEK1GRM4AXL
Trifluoroacetic Acid SCHEMBL4088476 0.94 CDK8 (0.47) CDK8PRKCINEK1GRM4AXL
SCHEMBL100648 0.83 PRKCI (0.57) CDK8PRKCIGRM4AURKBAURKA
SCHEMBL29540637 0.83 PRKCI (0.57) CDK8PRKCIGRM4AURKBAURKA
SCHEMBL4086496 0.81 PRKCI (0.48) CDK8PRKCIGRM4ABL1BCR
SCHEMBL99240 0.81 PRKCI (0.57) CDK8PRKCIGRM4AXLAURKB
SCHEMBL29540569 0.81 PRKCI (0.57) CDK8PRKCIGRM4AXLAURKB
SCHEMBL29541092 0.80 PRKCI (0.65) CDK8PRKCIGRM4AXLAURKB
SCHEMBL101483 0.80 PRKCI (0.65) CDK8PRKCIGRM4AXLAURKB
Trifluoroacetic Acid SCHEMBL4086493 0.79 PRKCI (0.48) CDK8PRKCIGRM4ABL1BCR

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 CDK8 200/4885PRKCI 304/4885NEK1 1035/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CDK8 200/4885PRKCI 304/4885NEK1 1035/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CDK8 200/4885PRKCI 304/4885NEK1 1035/4885

“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.