SCHEMBL4183382

SCHEMBL4183382

O=C(O)c1cnc(-c2cn[nH]c2)nc1NCCc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.47
CSNK2A1 P68400 2/20 0.47
GBA1 P04062 1/20 0.45
ROCK2 O75116 11/20 0.45
ROCK1 Q13464 6/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RPS6KB1 P23443 1/20 0.40
AKT1 P31749 1/20 0.40
BRS3 P32247 1/20 0.40
GAA P10253 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 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
SCHEMBL1631974 0.85 ROCK2 (0.48) CSNK2A2CSNK2A1GBA1ROCK2ROCK1
SCHEMBL1630222 0.85 ROCK2 (0.45) CSNK2A2CSNK2A1GBA1ROCK2ROCK1
SCHEMBL13743506 0.84 GBA1 (0.49) CSNK2A2CSNK2A1GBA1ROCK2ROCK1
SCHEMBL4185596 0.84 ROCK2 (0.47) GBA1ROCK2ROCK1KDM4EMEN1
SCHEMBL4188524 0.79 CSNK2A2 (0.51) CSNK2A2CSNK2A1GBA1KDM4EMEN1
SCHEMBL4179070 0.79 ROCK2 (0.41) CSNK2A2CSNK2A1GBA1ROCK2ROCK1
Hydrochloric Acid SCHEMBL4178767 0.79 CSNK2A2 (0.50) CSNK2A2CSNK2A1GBA1KDM4EMEN1
SCHEMBL4186002 0.78 GBA1 (0.46) CSNK2A2CSNK2A1GBA1ROCK2ROCK1
SCHEMBL4185997 0.75 GBA1 (0.46) CSNK2A2CSNK2A1GBA1ROCK2ROCK1
SCHEMBL4179062 0.74 KDM4E (0.43) CSNK2A2CSNK2A1GBA1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090198057-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INCORPORATED 2009-08-06 US disclosed
US-20090198057-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INCORPORATED 2009-08-06 US disclosed
US-20090198057-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INCORPORATED 2009-08-06 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-20090198057-A1 Certain Chemical Entities, Compositions, and Methods MYLK, MYH2, MYH10 CSNK2A2 534/4885CSNK2A1 714/4885GBA1 3801/4885

“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.