SCHEMBL1269294

SCHEMBL1269294

COc1cccc(C2CC(=O)N(c3ccnc(NC(=O)NCc4ccccn4)c3)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1269683 0.92 KMT2A (0.52) ALDH1A1KMT2AHPGDHTTSMN1; SMN2
SCHEMBL1269618 0.90 KMT2A (0.47) KMT2AHTTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL1268378 0.89 NPC1 (0.47) ALDH1A1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL1269259 0.88 KMT2A (0.51) ALDH1A1KMT2AHPGDSMN1; SMN2POLB
SCHEMBL12898201 0.87 ROCK2 (0.47) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL1268398 0.86 CACNA1B (0.44) ALDH1A1KMT2AHTTSMN1; SMN2POLB
SCHEMBL1268340 0.84 KMT2A (0.46) KMT2AHPGDHTTSMN1; SMN2MAPT
SCHEMBL12898196 0.84 GSK3B (0.49) ALDH1A1KMT2AHPGDSMN1; SMN2POLB
SCHEMBL1269553 0.81 SMN1; SMN2 (0.50) ALDH1A1KMT2AHPGDHTTSMN1; SMN2
SCHEMBL1269384 0.81 NPC1 (0.43) KMT2AHTTSMN1; SMN2MAPTALOX15

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 ALDH1A1 1585/4885KMT2A 575/4885HPGD 1329/4885

“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.