SCHEMBL1269660

SCHEMBL1269660

Cc1ccc2oc(=O)n(-c3ccnc(N)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MIF P14174 2/20 0.41
▸ CD74 P04233 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ TSHR P16473 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MET P08581 1/20 0.39
▸ THRB P10828 1/20 0.38

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
SCHEMBL1268296 0.90 KDM4E (0.42) KMT2AMEN1KDM4ENOS3NOS1
SCHEMBL1269528 0.82 MKNK1 (0.41) ALDH1A1MIFRAB9ATSHRLMNA
SCHEMBL1268291 0.69 L3MBTL1 (0.49) KMT2AMEN1RAB9ATSHRNPC1
SCHEMBL434086 0.67 MIF (0.54) KMT2AMEN1ALDH1A1MIFCD74
SCHEMBL24973060 0.66 MIF (0.53) KMT2AMEN1ALDH1A1MIFCD74
SCHEMBL5287521 0.66 MIF (0.53) KMT2AMEN1ALDH1A1MIFCD74
SCHEMBL1269228 0.64 PGR (0.41) KMT2AMEN1KDM4ENOS3NOS1
SCHEMBL25153 0.63 — —
SCHEMBL29406785 0.63 — —
SCHEMBL13367744 0.63 MIF (0.66) KMT2AMEN1ALDH1A1MIFCD74

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-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP KMT2A 575/4885MEN1 1917/4885KDM4E 728/4885

“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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