SCHEMBL6428004

SCHEMBL6428004

Cn1c(-c2ccccc2)nc(Cl)c(Cc2ccccc2C#N)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
DPP4 P27487 2/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
GLA P06280 1/20 0.38
CYP2D6 P10635 1/20 0.38
FPR1 P21462 1/20 0.38
KDM5A P29375 1/20 0.38
HPGD P15428 3/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
NPBWR1 P48145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CREBBP Q92793 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5583864 0.83 GABRA1 (0.42) CYP2C9CYP2C19CYP1A2NPSR1KMT2A
SCHEMBL5583952 0.81 KDM4E (0.44) CYP2C9CYP2C19CYP1A2NPSR1KDM4E
SCHEMBL8290094 0.81 DPP4 (0.44) NPSR1KMT2ADPP4KDM4EALDH1A1
SCHEMBL6427948 0.76 KMT2A (0.49) KMT2ADPP4KDM4EALDH1A1GAA
SCHEMBL13139853 0.75 DPP4 (0.59) DPP4
SCHEMBL3063723 0.75 DPP4 (0.59) DPP4
SCHEMBL5583922 0.75 HPGD (0.48) CYP2C9CYP1A2NPSR1KMT2AKDM4E
SCHEMBL5583740 0.74 PIN1 (0.40) CYP2C9CYP2C19CYP1A2NPSR1KDM4E
SCHEMBL5583951 0.74 NPSR1 (0.39) CYP2C9CYP2C19CYP1A2NPSR1KMT2A
SCHEMBL5072198 0.73 KMT2A (0.39) KMT2ADPP4KDM4EALDH1A1GAA

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
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 CYP2C9 353/4885CYP2C19 357/4885CYP1A2 1395/4885

“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.