Sugi Predict

Sugi Predict / Compounds / SCHEMBL2519952

SCHEMBL2519952

SCHEMBL2519952

CCOC(=O)c1cc(C)nn1CCOC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL29209455 0.87 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1POLBLMNANPSR1
SCHEMBL18718147 0.86 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1POLBLMNATSHR
SCHEMBL18718164 0.85 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1POLBLMNAGAA
SCHEMBL23138330 0.84 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1POLBLMNAGAA
SCHEMBL18718150 0.84 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1POLBLMNAMAPT
SCHEMBL31459282 0.83 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1POLBLMNAGAA
SCHEMBL2518853 0.83 HCAR3 (0.45) ALDH1A1POLBLMNANPSR1GAA
SCHEMBL6188814 0.83 MAPT (0.52) SMN1; SMN2ALDH1A1POLBLMNANPSR1
SCHEMBL18695261 0.82 TP53 (0.49) SMN1; SMN2ALDH1A1POLBLMNAGAA
SCHEMBL29834872 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1POLBMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492358-B1 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-11-08 — — US disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 — — EP disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 — — EP disclosed
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 — — CN disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 — — US disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 — — US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 — — US disclosed
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 — — EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 — — WO disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 — — WO disclosed
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 — — US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 — — US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 — — US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 — — US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 — — US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
EP-2049541-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 — — EP disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 — — 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 (7 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 SMN1; SMN2 4445/4885ALDH1A1 182/4885POLB 4384/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 SMN1; SMN2 4445/4885ALDH1A1 182/4885POLB 4384/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 SMN1; SMN2 4445/4885ALDH1A1 182/4885POLB 4384/4885
US-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 SMN1; SMN2 4099/4885ALDH1A1 1451/4885POLB 2024/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 SMN1; SMN2 4139/4885ALDH1A1 1443/4885POLB 2267/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 SMN1; SMN2 4202/4885ALDH1A1 1379/4885POLB 2027/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 SMN1; SMN2 4469/4885ALDH1A1 208/4885POLB 4296/4885

“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.