SCHEMBL9920170

SCHEMBL9920170

CC(C)c1nc(COC2CCCCO2)no1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BMP1 P13497 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ GPR84 Q9NQS5 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL9923393 0.82 KDM4C (0.37) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL15479751 0.70 BMP1 (0.39) NPC1RAB9ABMP1CNR2MEN1
SCHEMBL4081854 0.69 ICAM1 (0.40) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL15479746 0.69 BMP1 (0.40) NPC1RAB9ABMP1
SCHEMBL18704229 0.68 KDM4C (0.37) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL15479740 0.67 ALDH1A1 (0.37) BMP1CNR2MEN1KMT2AGPR119
SCHEMBL12251792 0.66 ALDH1A1 (0.42) NPC1RAB9AL3MBTL1BMP1CNR2
SCHEMBL15677573 0.66 HTT (0.34) CNR2GPR84
SCHEMBL24006607 0.66 KDM4C (0.41) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL3889222 0.66 KDM4C (0.46) KDM4CNPC1RAB9AL3MBTL1MEN1

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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