SCHEMBL17547958

SCHEMBL17547958

C[Si](C)(C)CCOCn1c(Cl)cc2nc(OCc3c(F)cccc3F)c(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ EPHA2 P29317 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL17547968 0.82 ALDH1A1 (0.31) DGAT1ALDH1A1MEN1KMT2A
SCHEMBL17547966 0.82 — —
SCHEMBL17547962 0.79 ANO1 (0.35) NPC1CDK1CDK4CDK2ALDH1A1
SCHEMBL17547964 0.78 NPC1 (0.38) NPC1SMN1; SMN2CDK1CDK4CDK2
SCHEMBL17548097 0.76 DGAT1 (0.34) DGAT1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL17547945 0.76 NPC1 (0.34) NPC1KDM4E
SCHEMBL17548193 0.74 DGAT1 (0.37) DGAT1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL19397940 0.74 NPC1 (0.33) NPC1
SCHEMBL16069677 0.73 F11 (0.38) DGAT1NPC1KDM4E
SCHEMBL16050238 0.73 F11 (0.39) NPC1KDM4EALDH1A1

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-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
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 DGAT1 1647/4885NPC1 2116/4885KDM4E 513/4885

“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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