SCHEMBL20822264

SCHEMBL20822264

Cc1c[n+]([O-])cc(C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
RECQL P46063 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
UPP1 Q16831 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL20303428 0.73 TSHR (0.35) TSHRALDH1A1
SCHEMBL20168189 0.73 TSHR (0.45) TSHR
SCHEMBL10073213 0.69 GPR84 (0.32)
SCHEMBL296498 0.69 TSHR (0.45) TSHR
SCHEMBL102473 0.65 CYP1A2 (0.59) TSHRKDM4EALDH1A1MAPTHPGD
SCHEMBL3395408 0.65
SCHEMBL20822276 0.65 SOS1 (0.31)
SCHEMBL8851985 0.65 KDM4E (0.46) TSHRKDM4EALDH1A1MAPTHPGD
SCHEMBL473873 0.65 KDM4E (0.37) TSHRKDM4EALDH1A1MAPTHPGD
SCHEMBL1344362 0.65 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148693-A1 Chemical Compounds AVISTA PHARMA SOLUTIONS INC (US) 2020-05-14 US disclosed
US-10570144-B2 Substituted ureas as prostaglandin EP4 receptor antagonists AVISTA PHARMA SOLUTIONS, INC. (US) 2020-02-25 US disclosed
US-10239885-B1 Compound 1-[2-[4-(2-ethyl-6,8-dimethylimidazo[1,2-α]pyrazin-3-yl)phenyl]ethyl]-3-(p-tolylsulfonyl)urea as a prostaglandin EP4 receptor antagonist AVISTA PHARMA SOLUTIONS, INC. (US) 2019-03-26 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 (3 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-20200148693-A1 Chemical Compounds PTGER4, PTGES, PTGER1 TSHR 1808/4885KDM4E 1581/4885ALDH1A1 1128/4885
US-10239885-B1 Compound 1-[2-[4-(2-ethyl-6,8-dimethylimidazo[1,2-α]pyrazin-3-yl)phenyl]ethyl]-3-(p-tolylsulfonyl)urea as a prostaglandin EP4 receptor antagonist PTGER4, PTGER1, PTGER2 TSHR 421/4885KDM4E 331/4885ALDH1A1 887/4885
US-10570144-B2 Substituted ureas as prostaglandin EP4 receptor antagonists PTGER4, PTGER1, PTGER2 TSHR 1071/4885KDM4E 1551/4885ALDH1A1 858/4885

“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.