SCHEMBL8205832

SCHEMBL8205832

CN1Cc2cnc3nc(N)nn3c2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.36
ALDH1A1 P00352 8/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DPP4 P27487 2/20 0.35
FAP Q12884 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HRH4 Q9H3N8 2/20 0.33
MAPK1 P28482 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 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
SCHEMBL13026676 0.84 DPP4 (0.43) KDM4EALDH1A1DPP4FAPDPP8
SCHEMBL12984733 0.81 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL16644224 0.71 HRH4 (0.47) KDM4EALDH1A1HRH4HRH3
SCHEMBL8206752 0.70 DPP4 (0.33) DPP4FAPDPP8
SCHEMBL13026721 0.67 DPP4 (0.45) KDM4EALDH1A1HPGDNPC1TP53
SCHEMBL12984728 0.65 DPP4 (0.41) KDM4EALDH1A1DPP4FAPDPP8
SCHEMBL13026679 0.65 DPP4 (0.43) DPP4FAPDPP8
SCHEMBL13501681 0.62 CYP2C19 (0.51) HRH4
SCHEMBL26626951 0.62 CYP2C19 (0.47) KDM4EALDH1A1HRH4HRH3
SCHEMBL17404757 0.61 NOS3 (0.50) GLAGAAHRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094081-B1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2012-07-11 EP disclosed
US-7855206-B2 Tricyclic heteroaromatic compounds as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-12-21 US disclosed
US-20100056550-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
WO-2008060488-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2008-05-22 WO 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-20100056550-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 KDM4E 1806/4885ALDH1A1 598/4885HPGD 998/4885

“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.