SCHEMBL3149850

SCHEMBL3149850

N#Cc1c(-c2ccccc2Cl)ccc2ncn(Cc3ccccc3)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.67
DPP8 Q6V1X1 2/20 0.50
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
TNF P01375 1/20 0.43
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 2/20 0.40
MMP13 P45452 1/20 0.40
P2RX7 Q99572 2/20 0.40
NR1I2 O75469 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29463863 0.85 DPP4 (0.69) DPP4DPP8HPGDGAALMNA
SCHEMBL3145122 0.85 DPP4 (0.69) DPP4DPP8HPGDGAALMNA
SCHEMBL3139405 0.80 DPP4 (1.00) DPP4DPP8
SCHEMBL3139641 0.79 DPP4 (0.62) DPP4DPP8HPGDLMNAKMT2A
SCHEMBL3149763 0.72 DPP4 (0.67) DPP4DPP8HPGDGAALMNA
SCHEMBL3145172 0.70 DPP4 (0.61) DPP4DPP8HPGDGAALMNA
SCHEMBL3154320 0.69 DPP4 (0.62) DPP4DPP8HPGDGAALMNA
SCHEMBL3149098 0.68 DPP4 (0.49) DPP4DPP8KMT2AMAPK1
SCHEMBL28262293 0.67 CYP11B1 (0.53) DPP4CYP11B1CYP11B2TNFHTT
SCHEMBL19848516 0.67 CYP11B1 (0.60) CYP11B1CYP11B2TNFHTTMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
EP-1753730-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP disclosed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed
US-20050272765-A1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-08 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-20050272765-A1 Dipeptidyl peptidase inhibitors DPP3, DPP4, DPP7 DPP4 2/4885DPP8 5/4885CYP11B1 1796/4885

“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.