SCHEMBL16920120

SCHEMBL16920120

C[Si](C)(C)CCOCn1c(Cl)c(C#N)c2nc(-c3c(F)cc(N4CCOCC4)cc3F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2B O00750 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ EGLN2 Q96KS0 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ KHK P50053 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ TLR9 Q9NR96 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ PIK3R2 O00459 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
SCHEMBL17548085 0.74 KDM4E (0.32) KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL19861044 0.74 — —
SCHEMBL16920150 0.74 — —
SCHEMBL19860997 0.72 — —
SCHEMBL16920130 0.72 PIK3C2B (0.31) PIK3C2B
SCHEMBL16920175 0.72 — —
SCHEMBL19861014 0.72 PIK3C2B (0.31) PIK3C2B
SCHEMBL15808369 0.71 NPC1 (0.32) MAPT
SCHEMBL19861043 0.71 — —
SCHEMBL16920133 0.71 PIK3C2B (0.31) PIK3C2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141906-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO. , LTD. (JP) 2018-05-24 — — US disclosed
US-20180141906-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO. , LTD. (JP) 2018-05-24 — — US disclosed
US-9890119-B2 Indole and azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-02-13 — — US disclosed
US-9890119-B2 Indole and azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-02-13 — — US disclosed
EP-2963013-A1 INDOLE AND AZAINDOLE DERIVATIVES EACH HAVING AMPK-ACTIVATING ACTIVITY Shionogi & Co., Ltd. (JP) 2016-01-06 — — EP disclosed
US-20150203450-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-07-23 — — US disclosed
US-20150203450-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-07-23 — — 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 (2 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-20150203450-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAB1 PIK3C2B 343/4885KDM4E 431/4885ALDH1A1 3890/4885
US-20180141906-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAG3 PIK3C2B 709/4885KDM4E 893/4885ALDH1A1 3102/4885

“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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