SCHEMBL17547962

SCHEMBL17547962

C[Si](C)(C)CCOCn1c(Cl)c(C(=O)O)c2nc(OCc3c(F)cccc3F)c(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALKBH1 Q13686 2/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ PPARG P37231 4/20 0.32
▸ GLP1R P43220 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ PTGER1 P34995 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CDK2 P24941 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
SCHEMBL17547964 0.92 NPC1 (0.38) ANO1ALKBH1NPC1F11MAPT
SCHEMBL17547966 0.86 — —
SCHEMBL17547968 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17547958 0.79 DGAT1 (0.33) NPC1ALDH1A1CDK1CDK4CDK2
SCHEMBL17548089 0.71 NPC1 (0.41) NPC1F11MAPT
SCHEMBL24896328 0.64 CCR2 (0.53) NPC1F11
SCHEMBL30220549 0.64 CCR2 (0.53) NPC1F11
SCHEMBL15050672 0.64 NPC1 (0.41) NPC1F11MAPT
SCHEMBL17548085 0.63 KDM4E (0.32) NPC1MAPT
SCHEMBL17548263 0.62 NPC1 (0.31) NPC1

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 ANO1 1232/4885TP53 1316/4885ALKBH1 760/4885

“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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