SCHEMBL1268340

SCHEMBL1268340

O=C(NCc1ccccn1)Nc1cc(N2CC(c3ccc(F)cc3)CC2=O)ccn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 1/20 0.41
NR3C2 P08235 1/20 0.41
NAMPT P43490 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1268378 0.93 NPC1 (0.47) KMT2AALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL1269259 0.92 KMT2A (0.51) KMT2AALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL1269683 0.89 KMT2A (0.52) KMT2AALOX15SMN1; SMN2MEN1HPGD
SCHEMBL1269384 0.88 NPC1 (0.43) KMT2AALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL12898198 0.88 MAPK1 (0.47) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL1269618 0.86 KMT2A (0.47) KMT2AALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL1268398 0.86 CACNA1B (0.44) KMT2AALOX15SMN1; SMN2NPC1RAB9A
SCHEMBL1269294 0.84 ALDH1A1 (0.50) KMT2AALOX15SMN1; SMN2HPGDMAPT
SCHEMBL1269263 0.84 CNR1 (0.43) KMT2ASMN1; SMN2MEN1HTT
SCHEMBL12898206 0.83 MAPK1 (0.42) NPC1RAB9ANR3C2MAPTHTT

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 575/4885ALOX15 4220/4885SMN1; 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.