SCHEMBL17548189

SCHEMBL17548189

CCS(=O)(=NC)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.48
▸ CA2 P00918 3/20 0.45
▸ SIGMAR1 Q99720 1/20 0.42
▸ F2 P00734 3/20 0.41
▸ PRSS1 P07477 3/20 0.41
▸ PRSS2 P07478 3/20 0.41
▸ PRSS3 P35030 3/20 0.41
▸ MMP2 P08253 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36

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
SCHEMBL17548367 0.84 PLCG1 (0.45) PLCG1CA2SIGMAR1F2PRSS1
SCHEMBL7300168 0.75 F2 (0.50) PLCG1CA2SIGMAR1F2PRSS1
SCHEMBL15576009 0.74 CA2 (0.48) PLCG1CA2F2PRSS1PRSS2
SCHEMBL5375 0.73 PLCG1 (0.70) PLCG1CA2SIGMAR1MMP2CA12
SCHEMBL7301352 0.71 F2 (0.55) PLCG1CA2SIGMAR1F2PRSS1
SCHEMBL20590400 0.70 PLCG1 (0.52) PLCG1CA2SIGMAR1F2PRSS1
SCHEMBL17493440 0.69 CA2 (0.44) PLCG1CA2SIGMAR1F2PRSS1
SCHEMBL17493468 0.69 CA2 (0.43) PLCG1CA2SIGMAR1F2PRSS1
SCHEMBL17548190 0.69 CA2 (0.43) PLCG1CA2F2PRSS1PRSS2
SCHEMBL198253 0.68 PLCG1 (0.61) PLCG1CA2SIGMAR1GAA

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-9980948-B2 Azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-05-29 — — US disclosed
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-28 — — US disclosed
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-28 — — US disclosed
US-9422312-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-23 — — US disclosed
WO-2016031842-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING EFFECT 塩野義製薬株式会社 2016-03-03 — — WO 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 (1 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-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAG1 PLCG1 2015/4885CA2 1894/4885SIGMAR1 1225/4885

“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.

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