SCHEMBL29880393

SCHEMBL29880393

Nc1cnc2cc(F)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ GFER P55789 2/20 0.43
▸ AXL P30530 1/20 0.43
▸ PDGFRB P09619 2/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ ILK Q13418 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ APP P05067 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL15690411 0.76 BACE1 (0.55) BACE1KDM4EKMT2APIK3CDPIK3CA
SCHEMBL2724939 0.76 KDM4E (0.55) BACE1KDM4EKMT2AGFERAXL
SCHEMBL101566 0.76 KMT2A (0.48) BACE1KDM4EKMT2APDGFRBPDGFRA
SCHEMBL1258593 0.76 ALDH1A1 (0.52) BACE1KDM4EKMT2AGFERAXL
SCHEMBL1598483 0.76 BACE1 (0.57) BACE1KDM4EKMT2ATLR9APP
SCHEMBL7859072 0.76 ESR2 (0.46) KDM4EKMT2APDGFRBPDGFRATLR9
SCHEMBL4725394 0.76 PIK3CG (0.53) BACE1PDGFRBPDGFRALMNAMAPT
SCHEMBL6844962 0.76 NCK1 (0.55) BACE1KDM4EKMT2ATLR9MEN1
SCHEMBL21937786 0.76 KDM4E (0.42) BACE1KDM4EKMT2AGFERAXL
SCHEMBL5679852 0.76 BACE1 (0.59) BACE1KDM4EILKPIK3CDPIK3CA

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
EP-3676261-B1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LTD (GB) 2024-12-18 — — EP claimed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 — — 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 (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-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R BACE1 25/4885KDM4E 2153/4885KMT2A 1082/4885

“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.

Send feedback