SCHEMBL1726152

SCHEMBL1726152

C=Cc1cnn(C(=O)OC(C)(C)C)c(=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
EGFR P00533 1/20 0.35
ITK Q08881 1/20 0.35
FAAH O00519 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
CHEK2 O96017 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KA3 P51812 1/20 0.32
PAK1 Q13153 1/20 0.32
DYRK1A Q13627 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32

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
SCHEMBL12042954 0.87 ELANE (0.42) ELANEEGFRITKFAAHGABRG2
SCHEMBL1724276 0.78 ELANE (0.44) ELANEEGFRITKFAAHGABRA1
SCHEMBL1724945 0.77 PTGS1 (0.36) PTGS1
SCHEMBL1726559 0.75 ELANE (0.42) ELANEFAAHROCK2ROCK1CHEK2
SCHEMBL12042963 0.74 ELANE (0.41) ELANEFAAHGABRG2GABRB3GABRA5
SCHEMBL12042951 0.70 NR1H2 (0.40) ELANEROCK2ROCK1EEF2KMAP4K4
SCHEMBL26646892 0.69 GABRG2 (0.35) ELANEEGFRITKFAAHGABRA1
SCHEMBL21241142 0.67 ELANE (0.45) ELANEFAAH
SCHEMBL4286978 0.67 MEN1 (0.54) F13A1TGM2TGM1TGM3MAPT
SCHEMBL471037 0.66 CYP11B2 (0.40) F13A1TGM2TGM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406233-B1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-11-13 EP disclosed
US-8278316-B2 Aza pyridone analogs useful as melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US disclosed
US-8278316-B2 Aza pyridone analogs useful as melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US disclosed
EP-2406233-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2012-01-18 EP disclosed
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-12-29 US disclosed
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-12-29 US disclosed
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-12-29 US disclosed
WO-2010104818-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-16 WO disclosed
WO-2010104818-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-16 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-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R ELANE 4756/4885EGFR 2357/4885ITK 3688/4885

“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.