SCHEMBL5583864

SCHEMBL5583864

Cn1c(-c2ccccc2)nc(Cl)c(OCc2ccccc2C#N)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
KMT2A Q03164 2/20 0.41
NPBWR1 P48145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.40
FFAR1 O14842 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALKBH1 Q13686 1/20 0.39
PLAU P00749 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 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
SCHEMBL6428004 0.83 CYP2C9 (0.40) KMT2ANPBWR1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL5583740 0.83 PIN1 (0.40) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL8290105 0.82 KDM4E (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13139855 0.77 DPP4 (0.57) DPP4
SCHEMBL3075383 0.77 DPP4 (0.57) DPP4
SCHEMBL5583952 0.73 KDM4E (0.44) CYP1A2CYP2C9CYP2C19NPSR1KDM4E
SCHEMBL14238617 0.73 POLB (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL5583951 0.73 NPSR1 (0.39) KMT2ASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8290094 0.69 DPP4 (0.44) KMT2ASMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL8290122 0.67 KDM4E (0.43) KMT2ACYP2C9CYP2C19NPSR1KDM4E

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 GABRA1 2739/4885GABRG2 2075/4885GABRB3 1606/4885

“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.