Sugi Predict

Sugi Predict / Compounds / SCHEMBL1629641

SCHEMBL1629641

SCHEMBL1629641

N#Cc1ccccc1-c1ccc(C(=O)NCc2ccc(N)cn2)c(NCCc2cccc(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.44
▸ ADORA1 P30542 3/20 0.44
▸ RPS6KB1 P23443 2/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CCNT1 O60563 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ROCK1 Q13464 1/20 0.35
▸ CTSS P25774 4/20 0.35
▸ CTSL P07711 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ CSNK2A2 P19784 2/20 0.34
▸ CSNK2A1 P68400 2/20 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
SCHEMBL1630811 0.92 ADORA2A (0.41) ADORA2AADORA1RPS6KB1AKT1KDM4E
SCHEMBL12724302 0.90 ADORA2A (0.39) ADORA2AADORA1RPS6KB1AKT1KDM4E
SCHEMBL4280903 0.89 ADORA2A (0.52) ADORA2AADORA1RPS6KB1AKT1KDM4E
SCHEMBL12725028 0.88 ADORA2A (0.43) ADORA2AADORA1RPS6KB1AKT1KDM4E
SCHEMBL1632418 0.88 ADORA2A (0.41) ADORA2AADORA1RPS6KB1AKT1KDM4E
SCHEMBL1632437 0.87 ADORA2A (0.42) ADORA2AADORA1RPS6KB1AKT1KDM4E
SCHEMBL1632599 0.87 PDPK1 (0.42) ADORA2AADORA1RPS6KB1AKT1KDM4E
SCHEMBL1631073 0.87 ADORA2A (0.42) ADORA2AADORA1RPS6KB1AKT1KDM4E
SCHEMBL1631799 0.87 ADORA2A (0.44) ADORA2AADORA1RPS6KB1AKT1KDM4E
SCHEMBL1630415 0.86 ADORA2A (0.41) ADORA2AADORA1RPS6KB1AKT1KDM4E

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 ADORA2A 2369/4885ADORA1 2532/4885RPS6KB1 3506/4885

“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.