SCHEMBL20822293

SCHEMBL20822293

Cc1cnc(N)c(C)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 9/20 0.46
NOS2 P35228 9/20 0.46
NOS1 P29475 6/20 0.46
UHRF1 Q96T88 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
MAP4K4 O95819 1/20 0.34
USP7 Q93009 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2A6 P11509 1/20 0.32
ABL1 P00519 1/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 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
SCHEMBL11714628 0.81 NOS3 (0.40) NOS3NOS2NOS1UHRF1USP7
SCHEMBL2482691 0.81 NOS3 (0.48) NOS3NOS2NOS1UHRF1CCR1
SCHEMBL5809638 0.79 NOS3 (0.46) NOS3NOS2NOS1UHRF1CCR1
SCHEMBL23556108 0.78 DYRK1A (0.37) NOS3NOS2NOS1USP7ALDH1A1
SCHEMBL24033512 0.78 HTT (0.41) NOS3NOS2NOS1UHRF1MAP4K4
SCHEMBL31041294 0.78 HTT (0.41) NOS3NOS2NOS1UHRF1MAP4K4
Ammonia Solution, Strong SCHEMBL29016866 0.77 NOS3 (0.44) NOS3NOS2NOS1UHRF1CCR1
SCHEMBL26359987 0.76 CCR1 (0.37) NOS3NOS2NOS1CCR1CCR5
SCHEMBL22809671 0.75 NOS3 (0.38) NOS3NOS2NOS1USP7
SCHEMBL2222027 0.75 NOS3 (0.38) NOS3NOS2NOS1USP7RXRA

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 6 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-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-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
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 NOS3 410/4885NOS2 451/4885NOS1 856/4885
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 NOS3 707/4885NOS2 606/4885NOS1 970/4885
US-10570144-B2 Substituted ureas as prostaglandin EP4 receptor antagonists PTGER4, PTGER1, PTGER2 NOS3 295/4885NOS2 217/4885NOS1 395/4885

“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.