Sugi Predict

Sugi Predict / Compounds / SCHEMBL1630748

SCHEMBL1630748

SCHEMBL1630748

C[C@@H](N)CNC(=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1LG2 Q9BQ51 2/20 0.42
▸ CD274 Q9NZQ7 2/20 0.42
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ CTSA P10619 1/20 0.36
▸ ADORA2A P29274 3/20 0.35
▸ CTSS P25774 3/20 0.35
▸ CTSL P07711 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ADORA1 P30542 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CTSK P43235 1/20 0.34

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
SCHEMBL1631233 1.00 PDCD1LG2 (0.42) PDCD1LG2CD274MAPTKDM4EMEN1
SCHEMBL1632000 0.92 KDM4E (0.37) PDCD1LG2CD274MAPTKDM4EMEN1
SCHEMBL1632213 0.91 RPS6KB1 (0.38) PDCD1LG2CD274MAPTKDM4EMEN1
SCHEMBL1632218 0.91 KDM4E (0.40) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1632582 0.91 KDM4E (0.38) PDCD1LG2CD274MAPTKDM4EMEN1
SCHEMBL1631731 0.91 KDM4E (0.40) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1630050 0.91 RPS6KB1 (0.38) PDCD1LG2CD274MAPTKDM4EMEN1
SCHEMBL4112386 0.91 MAPT (0.38) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1632845 0.91 MAPT (0.38) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1630118 0.91 MAPT (0.40) MAPTKDM4EMEN1KMT2AL3MBTL1

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-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 — — US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 — — US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 — — US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 — — US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 — — US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 — — US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 — — 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 (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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 PDCD1LG2 4238/4885CD274 4273/4885MAPT 540/4885

“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.