SCHEMBL6696015

SCHEMBL6696015

CC(C)(N)CNc1cc(Cl)ncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
HRH4 Q9H3N8 7/20 0.39
HRH3 Q9Y5N1 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.34
PRKCH P24723 2/20 0.33
PRKCE Q02156 2/20 0.33
PRKCQ Q04759 2/20 0.33
PRKCD Q05655 2/20 0.33
IL1B P01584 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
FGFR4 P22455 1/20 0.33
NUDT1 P36639 1/20 0.33
KIT P10721 1/20 0.32
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
CDK7 P50613 1/20 0.32
KCNH2 Q12809 1/20 0.32
PIM3 Q86V86 1/20 0.32

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
SCHEMBL15356370 0.86 HRH4 (0.51) NPC1HRH4HRH3MEN1KMT2A
SCHEMBL6701100 0.83 NPC1 (0.38) NPC1MEN1KMT2AAAK1
SCHEMBL602892 0.79 MEN1 (0.41) NPC1HRH4HRH3MEN1KMT2A
SCHEMBL9085501 0.76 NPC1 (0.35) NPC1HRH4HRH3MEN1KMT2A
SCHEMBL374260 0.76 EGFR (0.53) NPC1MEN1KMT2AEGFRMKNK1
SCHEMBL28158644 0.73 DNM2 (0.45) NPC1HRH4MEN1KMT2AEGFR
SCHEMBL2174911 0.72 NPC1 (0.45) NPC1MEN1KMT2AMKNK1FGFR4
SCHEMBL18131074 0.72 MEN1 (0.49) NPC1MEN1KMT2AEGFRMKNK1
SCHEMBL9181933 0.70 DNM2 (0.54) NPC1HRH4MEN1KMT2AEGFR
SCHEMBL22654910 0.70 MAPT (0.50) NPC1MEN1KMT2APRKCHPRKCE

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 NPC1 700/4885HRH4 1706/4885HRH3 3059/4885

“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.