SCHEMBL23922749

SCHEMBL23922749

Nc1ncc(Br)c(NC2CCN(CC3CC3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
CDK2 P24941 1/20 0.36
NPC1 O15118 2/20 0.35
HTT P42858 1/20 0.35
KCNH2 Q12809 2/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MELK Q14680 1/20 0.33
TRPA1 O75762 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
MAPK1 P28482 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
BLM P54132 1/20 0.33
CDK5 Q00535 1/20 0.33
ATM Q13315 1/20 0.33
CDK5R1 Q15078 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL17967813 0.88 LMNA (0.39) CDK2NPC1HTTKCNH2KMT2A
SCHEMBL23922771 0.87 SIGMAR1 (0.39) SIGMAR1CDK2KMT2AMEN1MELK
SCHEMBL28691467 0.86 JAK1 (0.38) CDK2NPC1HTTKMT2AMEN1
SCHEMBL28934492 0.85 JAK2 (0.39) CDK2NPC1HTTKMT2AMEN1
SCHEMBL17967818 0.84 HTT (0.40) CDK2NPC1HTTKMT2AMEN1
SCHEMBL28701158 0.83 JAK1 (0.41) CDK2NPC1HTTJAK1TYK2
SCHEMBL30520668 0.83 HTT (0.39) CDK2NPC1HTTKMT2AJAK1
SCHEMBL17967799 0.80 JAK1 (0.47) SIGMAR1HTTKMT2AMEN1MAPK1
SCHEMBL23140760 0.79 PKM (0.33) CDK2NPC1HTTKMT2AMEN1
SCHEMBL209456 0.79 AURKA (0.41) SIGMAR1NPC1HTTKCNH2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11660303-B2 2-phenylimidazo[4,5-b]pyridin-7-amine derivates useful as inhibitors of mammalian tyrosine kinase ROR1 activity KANCERA AB (SE) 2023-05-30 US disclosed
EP-3481824-B1 2-PHENYLIMIDAZO[4,5-B]PYRIDIN-7-AMINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2021-10-20 EP 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 (1 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-11660303-B2 2-phenylimidazo[4,5-b]pyridin-7-amine derivates useful as inhibitors of mammalian tyrosine kinase ROR1 activity ROR1, RORB, RORA SIGMAR1 2236/4885CDK2 268/4885NPC1 2710/4885

“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.