SCHEMBL13033015

SCHEMBL13033015

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 2/20 0.54
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KDM4E B2RXH2 6/20 0.50
▸ HPGD P15428 4/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.47
▸ TSHR P16473 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GLA P06280 1/20 0.46
▸ GBA1 P04062 1/20 0.44
▸ HTR1A P08908 2/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL12986291 0.86 SORD (0.44) SORDKMT2AMEN1KDM4EHPGD
SCHEMBL11981508 0.86 MEN1 (0.62) SORDKMT2AMEN1KDM4EHPGD
SCHEMBL10819395 0.83 KMT2A (0.53) SORDKMT2AMEN1KDM4EHPGD
SCHEMBL13043457 0.82 SORD (0.43) SORDKMT2AMEN1KDM4EHPGD
SCHEMBL7486793 0.82 HTR1A (0.53) SORDKMT2AMEN1KDM4EHPGD
SCHEMBL13033016 0.79 KMT2A (0.56) SORDKMT2AMEN1KDM4EHPGD
SCHEMBL8171578 0.76 HRH4 (0.65) SORDKMT2AMEN1KDM4EHPGD
SCHEMBL807735 0.76 MEN1 (0.54) SORDKMT2AMEN1KDM4EUSP2
SCHEMBL1708189 0.76 KMT2A (0.56) KMT2AMEN1KDM4EHPGDHSD17B10
SCHEMBL13033934 0.76 KMT2A (0.56) SORDKMT2AMEN1KDM4EHPGD

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-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 — — US disclosed
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 SORD 4493/4885KMT2A 939/4885MEN1 1312/4885

“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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