SCHEMBL5772602

SCHEMBL5772602

CC#CCn1c(Cl)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2C(CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.44
HIF1A Q16665 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 5/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
FAP Q12884 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CHRM1 P11229 2/20 0.37

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
SCHEMBL555650 0.84 HIF1A (0.57) DPP4HIF1APOLBALDH1A1HPGD
SCHEMBL5770135 0.83 DPP4 (0.66) DPP4FAPCHRM1
Hydrochloric Acid SCHEMBL5771703 0.83 DPP4 (0.65) DPP4FAPCHRM1
SCHEMBL6384057 0.80 POLB (0.45) DPP4HIF1APOLBALDH1A1HPGD
SCHEMBL5718898 0.80 LMNA (0.54) HIF1APOLBALDH1A1LMNATP53
SCHEMBL2960923 0.79 DPP4 (0.45) DPP4HIF1APOLBALDH1A1LMNA
SCHEMBL5771106 0.78 POLB (0.67) HIF1APOLBALDH1A1HPGDMAPK1
SCHEMBL2965812 0.77 POLB (0.42) DPP4HIF1APOLBALDH1A1LMNA
SCHEMBL28749929 0.74 HIF1A (0.62) HIF1APOLBALDH1A1HPGDLMNA
SCHEMBL555012 0.72 HIF1A (0.63) HIF1APOLBALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 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-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885HIF1A 2615/4885POLB 4529/4885

“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.