SCHEMBL10280239

SCHEMBL10280239

Cc1scnc1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
APEX1 P27695 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
ABL1 P00519 2/20 0.35
HSP90AB1 P08238 1/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35

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
SCHEMBL13300837 0.83 SMN1; SMN2 (0.40) ADORA2AADORA1KDM4ELMNAGAA
SCHEMBL14304002 0.80 PTGS2 (0.40) ADORA2AADORA1PTGS1PTGS2RAB9A
SCHEMBL6511715 0.80 IDO1 (0.40) ADORA2AADORA1PTGS2KDM4EGAA
SCHEMBL28294045 0.79 AHR (0.45) ADORA1LMNAABL1GRM5GRM1
SCHEMBL2089600 0.79 KDM4E (0.40) ADORA1PTGS1PTGS2KDM4ELMNA
SCHEMBL31609715 0.76 KDM4E (0.37) FFAR4ADORA2AADORA1KDM4ELMNA
SCHEMBL19036518 0.76 KDM4E (0.37) FFAR4APEX1PTGDR2KDM4ELMNA
SCHEMBL14754357 0.76 ABL1 (0.40) PTGS2KDM4EL3MBTL1NPC1RAB9A
SCHEMBL4539286 0.76 FFAR4 (0.45) FFAR4ADORA2AADORA1PTGDR2KDM4E
SCHEMBL14754458 0.76 FFAR4 (0.38) FFAR4PTGDR2KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
CN-109776537-A Purinedione as WNT pathway modulators 新加坡科技研究局 2019-05-21 CN disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 EP disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 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-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 FFAR4 1292/4885ADORA2A 198/4885ADORA1 281/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 FFAR4 4591/4885ADORA2A 1507/4885ADORA1 2436/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 FFAR4 4591/4885ADORA2A 1507/4885ADORA1 2436/4885

“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.