SCHEMBL4509136

SCHEMBL4509136

O=C(Nc1cnccn1)c1ccc(COc2cccn3ccnc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
LRRK2 Q5S007 1/20 0.48
POLB P06746 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SCD O00767 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TSHR P16473 1/20 0.45
LMNA P02545 4/20 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
SCHEMBL4499629 0.88 SGMS2 (0.56) KMT2APOLBTAAR1SCDCHRNB2
SCHEMBL183867 0.72 ATP4A (0.51) KMT2AMAPTMAPK1MEN1
SCHEMBL4516495 0.71 KMT2A (0.73) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2664613 0.70 LRRK2 (0.62) KMT2ALRRK2CHRNB2CHRNB4CHRNA3
SCHEMBL4868622 0.69 KMT2A (0.74) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12615802 0.69 GCK (0.67) KMT2ALRRK2CHRNB2CHRNB4CHRNA3
SCHEMBL45148 0.69 KMT2A (0.73) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21931945 0.68 KMT2A (0.63) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30533391 0.68 KMT2A (0.71) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29238994 0.68 KMT2A (0.71) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4

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-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS KMT2A 1109/4885LRRK2 949/4885POLB 2804/4885

“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.