SCHEMBL29540698

SCHEMBL29540698

N#Cc1cccc(-c2cn(-c3ccnc4[nH]ccc34)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.43
NEK1 Q96PY6 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
BRD4 O60885 1/20 0.42
CLK4 Q9HAZ1 3/20 0.41
NUDT1 P36639 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
IDO1 P14902 1/20 0.40
PRKCI P41743 1/20 0.39
JAK3 P52333 2/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 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
SCHEMBL100846 1.00 GRM5 (0.43) GRM5NEK1CYP1A2CYP3A4ALOX15
Trifluoroacetic Acid SCHEMBL4097362 0.90 SGK1 (0.40) GRM5NEK1CYP1A2CYP3A4ALOX15
SCHEMBL100468 0.84 JAK2 (0.52) CLK4NUDT1PRKCIJAK3IKBKB
SCHEMBL30663353 0.84 JAK2 (0.52) CLK4NUDT1PRKCIJAK3IKBKB
SCHEMBL100042 0.81 GRM5 (0.57) GRM5NEK1CYP1A2CYP3A4ALOX15
SCHEMBL98775 0.80 GRM5 (0.56) GRM5NEK1BRD4CLK4NUDT1
SCHEMBL29540736 0.80 CYP2D6 (0.44) BRD4CLK4CYP2D6CDK5ROCK1
SCHEMBL101287 0.80 CYP2D6 (0.44) BRD4CLK4CYP2D6CDK5ROCK1
SCHEMBL29541822 0.78 BRD4 (0.44) GRM5NEK1BRD4CLK4NUDT1
SCHEMBL98791 0.78 BRD4 (0.44) GRM5NEK1BRD4CLK4NUDT1

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 GRM5 2793/4885NEK1 1035/4885CYP1A2 1683/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 GRM5 2793/4885NEK1 1035/4885CYP1A2 1683/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 GRM5 2793/4885NEK1 1035/4885CYP1A2 1683/4885

“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.