Sugi Predict

Sugi Predict / Compounds / SCHEMBL1629809

SCHEMBL1629809

SCHEMBL1629809

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 2/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CTSA P10619 1/20 0.38
▸ CCNT1 O60563 1/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ CSNK2A2 P19784 2/20 0.34
▸ CSNK2A1 P68400 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ CASR P41180 1/20 0.33

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
SCHEMBL1631123 1.00 RPS6KB1 (0.39) RPS6KB1AKT1MAPTKMT2AKDM4E
SCHEMBL1632908 0.93 NPC1 (0.38) RPS6KB1AKT1MAPTKMT2AKDM4E
SCHEMBL1630977 0.93 NPC1 (0.38) RPS6KB1AKT1MAPTKMT2AKDM4E
SCHEMBL1632116 0.93 MEN1 (0.41) RPS6KB1AKT1MAPTKMT2AKDM4E
SCHEMBL1630459 0.93 MEN1 (0.41) RPS6KB1AKT1MAPTKMT2AKDM4E
SCHEMBL1630620 0.91 KDM4E (0.40) RPS6KB1AKT1MAPTKMT2AKDM4E
SCHEMBL1631302 0.91 KDM4E (0.40) RPS6KB1AKT1MAPTKMT2AKDM4E
SCHEMBL1630092 0.90 RPS6KB1 (0.38) RPS6KB1AKT1MAPTKMT2AKDM4E
SCHEMBL1630892 0.90 RPS6KB1 (0.38) RPS6KB1AKT1MAPTKMT2AKDM4E
SCHEMBL1630926 0.90 RPS6KB1 (0.38) RPS6KB1AKT1MAPTKMT2AKDM4E

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 RPS6KB1 3506/4885AKT1 3467/4885MAPT 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.