SCHEMBL1269351

SCHEMBL1269351

O=C(NCc1ccccn1)Nc1cc(-n2c(=O)oc3ccccc32)ccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ P2RX3 P56373 2/20 0.44
▸ P2RX2 Q9UBL9 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 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
SCHEMBL1268291 0.90 L3MBTL1 (0.49) KMT2AMEN1SMN1; SMN2ALOX15NPC1
SCHEMBL1269139 0.90 L3MBTL1 (0.49) KMT2AMEN1SMN1; SMN2ALOX15NPC1
SCHEMBL1269332 0.83 RAB9A (0.52) KMT2AMEN1SMN1; SMN2ALOX15NPC1
SCHEMBL1269236 0.81 KMT2A (0.48) KMT2AMEN1SMN1; SMN2ALOX15NPC1
SCHEMBL1268276 0.79 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALOX15NPC1
SCHEMBL1268364 0.77 RAB9A (0.47) KMT2AMEN1SMN1; SMN2ALOX15NPC1
SCHEMBL1269229 0.74 MAPK1 (0.50) KMT2AMEN1SMN1; SMN2ALOX15NPC1
SCHEMBL1268511 0.73 ALOX15 (0.49) KMT2AMEN1SMN1; SMN2ALOX15NPC1
SCHEMBL1268416 0.73 SMN1; SMN2 (0.61) KMT2AMEN1SMN1; SMN2ALOX15NPC1
SCHEMBL1268302 0.72 KMT2A (0.47) KMT2AMEN1SMN1; SMN2ALOX15NPC1

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 1917/4885SMN1; SMN2 865/4885

“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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