SCHEMBL21118141

SCHEMBL21118141

Nc1nonc1/C(=N/O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
PDK1 Q15118 1/20 0.45
IDO1 P14902 4/20 0.44
TDO2 P48775 1/20 0.44
GRM4 Q14833 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PDGFRB P09619 3/20 0.43
FLT3 P36888 2/20 0.43
LMNA P02545 1/20 0.43
IKBKE Q14164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CDK8 P49336 1/20 0.42
RIPK1 Q13546 2/20 0.42

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
SCHEMBL2517446 0.87 IDO1 (0.46) KDRIDO1TDO2GRM4FLT3
SCHEMBL2517447 0.87 IDO1 (0.46) KDRIDO1TDO2GRM4FLT3
SCHEMBL21118310 0.87 IDO1 (0.46) KDRIDO1TDO2GRM4FLT3
SCHEMBL21118334 0.85 IDO1 (0.47) IDO1TDO2MEN1HTTKMT2A
SCHEMBL2520576 0.85 IDO1 (0.47) IDO1TDO2MEN1HTTKMT2A
SCHEMBL2520573 0.85 IDO1 (0.47) IDO1TDO2MEN1HTTKMT2A
SCHEMBL2519338 0.81 ALDH1A1 (0.46) IDO1TDO2NPSR1HTTLMNA
SCHEMBL2519337 0.81 ALDH1A1 (0.46) IDO1TDO2NPSR1HTTLMNA
SCHEMBL149780 0.81 IDO1 (0.61) KDRIDO1TDO2NPSR1MEN1
SCHEMBL30449075 0.81 IDO1 (0.61) KDRIDO1TDO2NPSR1MEN1

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-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2019-06-06 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-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF IDO1, IDO2, INMT KDR 1773/4885PDK1 172/4885IDO1 1/4885

“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.