SCHEMBL1269194

SCHEMBL1269194

O=C(NCc1ccccn1)Nc1cc(N2CC3(CCCCC3)CC2=O)ccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ GRM4 Q14833 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 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
SCHEMBL1269375 0.86 KMT2A (0.47) ALOX15SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1269229 0.82 MAPK1 (0.50) ALOX15SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1268171 0.77 POLB (0.48) ALOX15SMN1; SMN2GAANPC1RAB9A
SCHEMBL1268378 0.76 NPC1 (0.47) ALOX15SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL16441364 0.76 KMT2A (0.45) ALOX15SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1269270 0.76 EGLN1 (0.51) ALOX15SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1269302 0.76 KMT2A (0.47) ALOX15SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1268419 0.76 KMT2A (0.47) ALOX15SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1269238 0.75 RAB9A (0.45) ALOX15SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1269310 0.75 RAB9A (0.45) ALOX15SMN1; SMN2NPC1RAB9AKMT2A

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 ALOX15 4220/4885SMN1; SMN2 865/4885GAA 1517/4885

“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.

Send feedback