SCHEMBL1268276

SCHEMBL1268276

CC(C)(C)n1c(=O)n(-c2ccnc(NC(=O)NCc3ccccn3)c2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ SHMT2 P34897 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL1269236 0.87 KMT2A (0.48) KMT2ASMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL1269332 0.87 RAB9A (0.52) KMT2ASMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL1269351 0.79 KMT2A (0.47) KMT2ASMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL1268291 0.75 L3MBTL1 (0.49) KMT2ASMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL1269139 0.75 L3MBTL1 (0.49) KMT2ASMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL1268302 0.73 KMT2A (0.47) KMT2ASMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL1269375 0.73 KMT2A (0.47) KMT2ASMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL1269229 0.73 MAPK1 (0.50) KMT2ASMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL1269302 0.72 KMT2A (0.47) KMT2ASMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL1268419 0.72 KMT2A (0.47) KMT2ASMN1; SMN2ALOX15RAB9ANPC1

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 575/4885SMN1; SMN2 865/4885ALOX15 4220/4885

“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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