SCHEMBL13664206

SCHEMBL13664206

CCOC(=O)/C(=N/Nc1ccc(F)cc1)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
GAA P10253 3/20 0.54
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
THRB P10828 1/20 0.52
ALOX12 P18054 1/20 0.52
NPSR1 Q6W5P4 3/20 0.47
ATM Q13315 1/20 0.47
KYAT1 Q16773 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CASP3 P42574 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
LMNA P02545 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 2/20 0.45

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
SCHEMBL19283212 1.00 MAPT (0.56) MAPTGAAKDM4ETDP1THRB
SCHEMBL19283214 1.00 MAPT (0.56) MAPTGAAKDM4ETDP1THRB
SCHEMBL11390894 0.88 KYAT1 (0.58) MAPTGAAKDM4ENPSR1ATM
SCHEMBL11390921 0.88 KYAT1 (0.58) MAPTGAAKDM4ENPSR1ATM
SCHEMBL15047055 0.87 NPSR1 (0.48) MAPTGAAKDM4ETDP1NPSR1
SCHEMBL15047081 0.87 NPSR1 (0.48) MAPTGAAKDM4ETDP1NPSR1
SCHEMBL1491865 0.86 KYAT1 (0.60) MAPTGAAKDM4ETDP1NPSR1
SCHEMBL1491860 0.86 MEN1 (0.61) MAPTGAAKDM4ETDP1ALOX12
SCHEMBL1491858 0.86 MEN1 (0.61) MAPTGAAKDM4ETDP1ALOX12
SCHEMBL1491863 0.86 KYAT1 (0.60) MAPTGAAKDM4ETDP1NPSR1

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
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
WO-2008008286-A2 SUBSTITUTED PYRAZOLES AS GHRELIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 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 (2 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-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MAPT 4659/4885GAA 980/4885KDM4E 1797/4885
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists GIPR, GPR119, GLP1R MAPT 4701/4885GAA 2005/4885KDM4E 3380/4885

“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.