SCHEMBL20146220

SCHEMBL20146220

C=CCOC(=O)NCC(CN)Cc1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL17108610 1.00 CASP1 (0.38) CASP1ALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL17108608 1.00 CASP1 (0.38) CASP1ALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL18760199 0.88 ALDH1A1 (0.32) CASP1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL17108619 0.85 SYK (0.40) CASP1ALDH1A1CYP3A4HSD17B10MAPT
SCHEMBL18748453 0.83 CASP1 (0.48) CASP1ALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL17101248 0.80 HPGD (0.45) ALDH1A1TSHRMAPTKDM4EGAA
SCHEMBL17108598 0.80 SYK (0.42) ALDH1A1HSD17B10MAPK1KMT2ALMNA
SCHEMBL17108605 0.79 CTSA (0.44) ALDH1A1CYP3A4HSD17B10MAPTKDM4E
SCHEMBL20146223 0.74 ERN1 (0.47) CASP1ALDH1A1CYP3A4MAPTKMT2A
SCHEMBL17101442 0.71 HPGD (0.50) ALDH1A1MAPTKDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954211-B2 Chemical compounds ASTRAZENECA AB (SE) 2021-03-23 US disclosed
CN-106103423-B Pyrazine compounds 阿斯利康(瑞典)有限公司 2019-12-06 CN disclosed
US-20190330187-A1 Chemical Compounds ASTRAZENECA UK LIMITED (GB) 2019-10-31 US disclosed
EP-3119752-B1 3,4-DIAMINO-6-CHLOROPYRAZINE-2-CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF ENAC MEDIATED DISEASES ASTRAZENECA AB (SE) 2018-05-16 EP 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-10954211-B2 Chemical compounds CFTR, SCNN1B, SCNN1A CASP1 3276/4885ALDH1A1 933/4885CYP3A4 2450/4885
US-20190330187-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A CASP1 3276/4885ALDH1A1 933/4885CYP3A4 2450/4885

“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.