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Sugi Predict / Compounds / SCHEMBL5656473

SCHEMBL5656473

SCHEMBL5656473

COc1ccc(C(=O)NCc2ccc(NC3=NCCN3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 7/20 0.71
▸ ADRA2A P08913 5/20 0.65
▸ ADRA2B P18089 4/20 0.65
▸ ADRA2C P18825 4/20 0.65
▸ WDR5 P61964 3/20 0.56
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ EPHX2 P34913 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NR1H4 Q96RI1 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ GPR65 Q8IYL9 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ GAA P10253 1/20 0.51

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
SCHEMBL5655170 0.97 PTGIR (0.67) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5659767 0.90 PTGIR (0.57) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5656401 0.89 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CMEN1
SCHEMBL5656406 0.89 ADRA2A (0.69) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5658659 0.88 ADRA2A (0.63) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5658627 0.88 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5657415 0.88 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5657784 0.88 LMNA (0.55) PTGIRADRA2AADRA2BADRA2CMEN1
SCHEMBL5658291 0.88 PTGIR (0.57) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL5657780 0.88 LMNA (0.61) PTGIRADRA2AADRA2BADRA2CMEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 — — US claimed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 — — EP claimed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 — — WO claimed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 — — US claimed
US-11857537-B2 Use of prostacyclin antagonists for treating ocular surface nociception JENIVISION INC. (US) 2024-01-02 — — US disclosed
US-11857537-B2 Use of prostacyclin antagonists for treating ocular surface nociception JENIVISION INC. (US) 2024-01-02 — — US disclosed
US-20210212993-A1 USE OF PROSTACYCLIN ANTAGONISTS FOR TREATING OCULAR SURFACE NOCICEPTION JENIVISION INC. 2021-07-15 — — US disclosed
US-20200345697-A1 USE OF PROSTACYCLIN ANTAGONISTS FOR TREATING OCULAR SURFACE NOCICEPTION JENIVISION INC (US) 2020-11-05 — — US disclosed
US-20180008578-A1 USE OF PROSTACYCLIN ANTAGONISTS FOR TREATING OCULAR SURFACE NOCICEPTION JENIVISION INC. 2018-01-11 — — US disclosed
US-9827225-B2 Use of prostacyclin antagonists for treating ocular surface nociception JENIVISION INC. (US) 2017-11-28 — — US disclosed
US-9827225-B2 Use of prostacyclin antagonists for treating ocular surface nociception JENIVISION INC. (US) 2017-11-28 — — US disclosed
WO-2017132115-A1 USE OF PROSTACYCLIN ANTAGONISTS FOR TREATING OCULAR SURFACE NOCICEPTION JENIVISION INC. (US) 2017-08-03 — — WO disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 — — US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 — — US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 — — US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 — — US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 — — EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 — — US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 — — WO disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 — — 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 (6 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR PTGIR 44/4885ADRA2A 90/4885ADRA2B 82/4885
US-11857537-B2 Use of prostacyclin antagonists for treating ocular surface nociception PTGIR, PTGIS, TRPA1 PTGIR 1/4885ADRA2A 161/4885ADRA2B 188/4885
US-20180008578-A1 USE OF PROSTACYCLIN ANTAGONISTS FOR TREATING OCULAR SURFACE NOCICEPTION PTGIR, PTGIS, TRPA1 PTGIR 1/4885ADRA2A 161/4885ADRA2B 188/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR PTGIR 128/4885ADRA2A 99/4885ADRA2B 136/4885
US-20210212993-A1 USE OF PROSTACYCLIN ANTAGONISTS FOR TREATING OCULAR SURFACE NOCICEPTION PTGIR, PTGIS, TRPA1 PTGIR 1/4885ADRA2A 161/4885ADRA2B 188/4885
US-20200345697-A1 USE OF PROSTACYCLIN ANTAGONISTS FOR TREATING OCULAR SURFACE NOCICEPTION PTGIR, PTGIS, TRPA1 PTGIR 1/4885ADRA2A 161/4885ADRA2B 188/4885

“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.