SCHEMBL5453617

SCHEMBL5453617

Cc1cnc(NC(=O)Nc2ccc(N3CCNCC3)cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
AURKA O14965 2/20 0.57
KDR P35968 2/20 0.57
FLT3 P36888 2/20 0.57
P2RY1 P47900 1/20 0.46
NPC1 O15118 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
MAPKAPK2 P49137 4/20 0.44

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
SCHEMBL5459967 0.85 MAPT (0.59) RAB9AKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL5465623 0.81 RAB9A (0.60) RAB9AMAPTSMN1; SMN2AURKAKDR
SCHEMBL5463529 0.80 KMT2A (0.62) RAB9AKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL6282915 0.76 RAB9A (0.74) RAB9AKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL13853439 0.76 MAPT (0.51) RAB9AKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL6285776 0.76 RAB9A (0.74) RAB9AKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL12539734 0.75 CCNT1 (0.53) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL5459405 0.74 RAB9A (0.62) RAB9AKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL5464860 0.74 MAPKAPK2 (0.48) RAB9AMAPTSMN1; SMN2FLT3P2RY1
SCHEMBL5458464 0.74 MAPT (0.56) RAB9AKMT2AMAPTMEN1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 RAB9A 1528/4885KMT2A 1350/4885MAPT 758/4885

“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.