SCHEMBL9923393

SCHEMBL9923393

Cc1nc(COC2CCCCO2)no1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PDE8B O95263 10/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ OGA O60502 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL9920170 0.82 KDM4C (0.35) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL18704229 0.71 KDM4C (0.37) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL24006607 0.69 KDM4C (0.41) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL23704531 0.69 KDM4C (0.36) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL14065905 0.68 ICAM1 (0.42) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL17878832 0.68 KDM4C (0.43) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL23703909 0.68 NPC1 (0.39) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL16364797 0.67 OPRL1 (0.39) NPC1RAB9APDE8BL3MBTL1MEN1
SCHEMBL4081854 0.67 ICAM1 (0.40) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL18355699 0.67 TACR1 (0.46) KDM4CNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 KDM4C 737/4885NPC1 3905/4885RAB9A 3327/4885

“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.

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