SCHEMBL3191859

SCHEMBL3191859

CC(C)Cc1n[nH]c2cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.45
▸ MAP2K4 P45985 3/20 0.43
▸ TRPA1 O75762 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ CHEK1 O14757 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ MAT2A P31153 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DYRK1A Q13627 2/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HAVCR2 Q8TDQ0 1/20 0.35

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
SCHEMBL17229330 0.87 HTR2A (0.43) GSK3BCHEK1HTR2AGPR84DYRK1A
SCHEMBL10271450 0.81 GSK3B (0.51) GSK3BMAP2K4TRPA1CHEK1MAT2A
SCHEMBL25139869 0.78 GSK3B (0.49) GSK3BMAP2K4TRPA1CHEK1LMNA
Hydrochloric Acid SCHEMBL20705285 0.77 PRMT5 (0.47) GSK3BMAP2K4TRPA1GPR84DAO
SCHEMBL9963337 0.76 KDM4E (0.47) PDE3BPDE3AMEN1ALDH1A1KMT2A
SCHEMBL905771 0.75 HTR2A (0.55) GSK3BCHEK1HTR2ADYRK1ACDC7
SCHEMBL16675892 0.75 GSK3B (0.44) GSK3BMAP2K4TRPA1CHEK1MAT2A
SCHEMBL5635078 0.74 GSK3B (0.42) GSK3BMAP2K4TRPA1CHEK1MAT2A
SCHEMBL1461282 0.74 GSK3B (0.54) GSK3BMAP2K4TRPA1MAT2AMAP4K4
SCHEMBL6612568 0.73 GSK3B (0.56) GSK3BMAP2K4MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 — — US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 — — US disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 — — WO disclosed
US-20100016371-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-21 — — US disclosed
US-20100016371-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-21 — — US disclosed
US-20100016371-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-21 — — US disclosed
US-20090298866-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2009-12-03 — — US disclosed
US-20090298866-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2009-12-03 — — US disclosed
US-20090298866-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2009-12-03 — — US disclosed
EP-2044062-A1 INDOLE COMPOUNDS Glaxo Group Limited (GB) 2009-04-08 — — EP disclosed
EP-2041086-A1 INDOLE COMPOUNDS Glaxo Group Limited (GB) 2009-04-01 — — EP disclosed
WO-2008006790-A1 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 — — WO disclosed
WO-2008006790-A1 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 — — WO disclosed
WO-2008006793-A1 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 — — WO disclosed
WO-2008006793-A1 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 — — 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 (4 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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 GSK3B 1813/4885MAP2K4 811/4885TRPA1 1989/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 GSK3B 1813/4885MAP2K4 811/4885TRPA1 1989/4885
US-20100016371-A1 Indole Compounds IDO1, TPH1, IDO2 GSK3B 252/4885MAP2K4 4375/4885TRPA1 1041/4885
US-20090298866-A1 Indole Compounds IDO1, TPH1, IDO2 GSK3B 203/4885MAP2K4 4022/4885TRPA1 1335/4885

“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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