SCHEMBL1269259

SCHEMBL1269259

O=C(NCc1ccccn1)Nc1cc(N2CC(c3cccc(F)c3)CC2=O)ccn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.43
ALOX15 P16050 1/20 0.43
CNR1 P21554 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
ITGB3 P05106 3/20 0.39
ITGAV P06756 3/20 0.39
POLB P06746 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
SCHEMBL1268340 0.92 KMT2A (0.46) KMT2ASMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL1268378 0.91 NPC1 (0.47) KMT2ASMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL1269618 0.90 KMT2A (0.47) KMT2ASMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL1268398 0.90 CACNA1B (0.44) KMT2ASMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL1269294 0.88 ALDH1A1 (0.50) KMT2ASMN1; SMN2ALOX15ALDH1A1MAPT
SCHEMBL1269384 0.86 NPC1 (0.43) KMT2ASMN1; SMN2ALOX15NPC1RAB9A
SCHEMBL1269683 0.84 KMT2A (0.52) KMT2ASMN1; SMN2ALOX15ALDH1A1MAPT
SCHEMBL1269263 0.83 CNR1 (0.43) KMT2ASMN1; SMN2CNR1ALDH1A1TSHR
SCHEMBL12898198 0.83 MAPK1 (0.47) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL1268088 0.81 MAPK1 (0.46) KMT2AMEN1ITGB3ITGAVPOLB

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.