SCHEMBL5874330

SCHEMBL5874330

NC1(c2cccnc2)CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.57
TOP2A P11388 3/20 0.50
TOP2B Q02880 3/20 0.50
CHRM2 P08172 1/20 0.49
DRD1 P21728 1/20 0.49
DHFR P00374 1/20 0.48
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ABCC4 O15439 1/20 0.46
KMT2A Q03164 1/20 0.44
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3B P49841 1/20 0.41
RARB P10826 1/20 0.41
TBXAS1 P24557 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PIK3CG P48736 1/20 0.41
CYP2C9 P11712 2/20 0.41
ATP6V1B2 P21281 1/20 0.41

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
SCHEMBL4575143 0.81 DPP4 (0.60) DPP4TOP2ATOP2BCHRM2DRD1
Hydrochloric Acid SCHEMBL10652952 0.81 DPP4 (0.59) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL8844266 0.80 DPP4 (0.63) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL9572096 0.79 DPP4 (0.62) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL9146400 0.78 DPP4 (0.63) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL5082609 0.78 DPP4 (0.47) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL9378137 0.77 DPP4 (0.59) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL9316567 0.77 DPP4 (0.59) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL4247787 0.77 DPP4 (0.68) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL10377708 0.77 DPP4 (0.66) DPP4TOP2ATOP2BCHRM2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012144-B2 Quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-14 US disclosed
US-20030130302-A1 Quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2003-07-10 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-20030130302-A1 Quinolone carboxylic acid derivatives CYCS, CBR3, HCCS DPP4 1704/4885TOP2A 257/4885TOP2B 328/4885

“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.