SCHEMBL5583740

SCHEMBL5583740

Cn1c(-c2ccccc2)nc(Cl)c(Oc2ccccc2C#N)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
ADRB2 P07550 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHPS P49366 1/20 0.36
KDM5A P29375 2/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL14238617 0.88 POLB (0.43) PIN1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL5583864 0.83 GABRA1 (0.42) CYP1A2CYP2C9CYP2C19NPSR1SMN1; SMN2
SCHEMBL8290122 0.81 KDM4E (0.43) CYP2C9CYP2C19NPSR1LMNAKDM4E
SCHEMBL13139852 0.75 DPP4 (0.50)
SCHEMBL3064302 0.75 DPP4 (0.50)
SCHEMBL6428004 0.74 CYP2C9 (0.40) CYP1A2CYP2C9CYP2C19NPSR1SMN1; SMN2
SCHEMBL5583951 0.74 NPSR1 (0.39) CYP1A2CYP2C9CYP2C19NPSR1SMN1; SMN2
SCHEMBL5583952 0.72 KDM4E (0.44) CYP1A2CYP2C9CYP2C19NPSR1KDM4E
SCHEMBL8290105 0.68 KDM4E (0.44) NPSR1SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL2493126 0.67 CHEK2 (0.47) CYP1A2SMN1; SMN2KDM4EALDH1A1GAA

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
JP-2007505121-A 2007-03-08 JP claimed
EP-1699777-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2006-09-13 EP claimed
WO-2005026148-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-03-24 WO claimed
US-20050065145-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed
US-7790734-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7790734-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
WO-2005026148-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-03-24 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-20050065145-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 PIN1 485/4885CYP1A2 1395/4885CYP2C9 353/4885

“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.