SCHEMBL13033016

SCHEMBL13033016

Cc1cc(C)nc(N2CCN(O)CC2)n1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KDM4E B2RXH2 4/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ SORD Q00796 2/20 0.50
▸ GBA1 P04062 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ TSHR P16473 3/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL15107946 0.84 SORD (0.45) KMT2AMEN1KDM4EHSD17B10NPSR1
SCHEMBL12990426 0.84 SORD (0.47) KMT2AMEN1KDM4EHSD17B10NPSR1
SCHEMBL8171578 0.81 HRH4 (0.65) KMT2AMEN1KDM4EHSD17B10NPSR1
SCHEMBL1708189 0.80 KMT2A (0.56) KMT2AMEN1KDM4EHSD17B10NPSR1
SCHEMBL13033934 0.80 KMT2A (0.56) KMT2AMEN1KDM4EHSD17B10NPSR1
SCHEMBL27722983 0.79 GBA1 (0.59) KMT2AMEN1KDM4EHSD17B10NPSR1
SCHEMBL13033015 0.79 SORD (0.54) KMT2AMEN1KDM4EHSD17B10NPSR1
SCHEMBL13693076 0.78 KMT2A (0.55) KMT2AMEN1KDM4EHSD17B10NPSR1
SCHEMBL13034553 0.77 GBA1 (0.75) KMT2AMEN1KDM4EHSD17B10NPSR1
SCHEMBL1515420 0.77 KMT2A (0.53) KMT2AMEN1KDM4EHSD17B10NPSR1

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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 — — 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 939/4885MEN1 1312/4885KDM4E 572/4885

“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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