SCHEMBL17547964

SCHEMBL17547964

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CD38 P28907 1/20 0.32
▸ GUCY1B2 O75343 2/20 0.32
▸ GUCY1A2 P33402 2/20 0.32
▸ GUCY1A1 Q02108 2/20 0.32
▸ GUCY1B1 Q02153 2/20 0.32
▸ STING1 Q86WV6 1/20 0.32
▸ F11 P03951 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALKBH1 Q13686 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ANO1 Q5XXA6 2/20 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
SCHEMBL17547962 0.92 ANO1 (0.35) NPC1CDK1CDK4CDK2F11
SCHEMBL17547966 0.85 — —
SCHEMBL17547968 0.83 ALDH1A1 (0.31) ALDH1A1KMT2A
SCHEMBL17548089 0.80 NPC1 (0.41) NPC1F11MAPTPOLB
SCHEMBL17547958 0.78 DGAT1 (0.33) NPC1CDK1CDK4CDK2ALDH1A1
SCHEMBL15051452 0.64 NPC1 (0.48) NPC1F11MAPT
SCHEMBL17548085 0.62 KDM4E (0.32) NPC1MAPTATMSMN1; SMN2POLB
SCHEMBL17548263 0.61 NPC1 (0.31) NPC1
SCHEMBL23497567 0.61 PPARG (0.37) NPC1MAPTKMT2A
SCHEMBL15065517 0.60 NPC1 (0.38) NPC1MAPTTSHR

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 NPC1 2116/4885CDK1 2220/4885CDK4 1512/4885

“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.

Send feedback