SCHEMBL29540372

SCHEMBL29540372

N#Cc1cccc(-c2cn(-c3ccnc4[nH]ccc34)nc2N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.44
PIK3CA P42336 1/20 0.44
BRD4 O60885 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NEK1 Q96PY6 1/20 0.41
NUDT1 P36639 1/20 0.41
PRKCI P41743 2/20 0.41
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
ADORA2A P29274 1/20 0.40
TBK1 Q9UHD2 1/20 0.39
LRRK2 Q5S007 8/20 0.39
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL102275 1.00 NTRK1 (0.44) NTRK1PIK3CABRD4MEN1LMNA
SCHEMBL98791 0.89 BRD4 (0.44) NTRK1PIK3CABRD4NEK1NUDT1
SCHEMBL29541822 0.89 BRD4 (0.44) NTRK1PIK3CABRD4NEK1NUDT1
SCHEMBL29540881 0.88 BRD4 (0.46) NTRK1PIK3CABRD4NEK1NUDT1
SCHEMBL15393335 0.88 BRD4 (0.43) NTRK1PIK3CABRD4NEK1NUDT1
SCHEMBL99271 0.88 BRD4 (0.46) NTRK1PIK3CABRD4NEK1NUDT1
SCHEMBL12250878 0.85 BRD4 (0.41) NTRK1PIK3CABRD4NEK1NUDT1
SCHEMBL171183 0.84 PRKCI (0.45) NUDT1PRKCIIKBKBCHUKLRRK2
SCHEMBL29541421 0.82 BRD4 (0.43) BRD4NEK1NUDT1PRKCIADORA2A
SCHEMBL18599986 0.82 BRD4 (0.41) NTRK1PIK3CABRD4NEK1NUDT1

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 NTRK1 1809/4885PIK3CA 72/4885BRD4 96/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 NTRK1 1809/4885PIK3CA 72/4885BRD4 96/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 NTRK1 1809/4885PIK3CA 72/4885BRD4 96/4885

“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.