SCHEMBL4186002

SCHEMBL4186002

NC(=O)C(c1cccnc1)c1cnc(-c2cn[nH]c2)nc1NCCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.46
CSNK2A2 P19784 2/20 0.41
CSNK2A1 P68400 2/20 0.41
ROCK2 O75116 7/20 0.40
RPS6KB1 P23443 2/20 0.38
AKT1 P31749 1/20 0.38
ROCK1 Q13464 2/20 0.37
LRRK2 Q5S007 1/20 0.37
NR3C2 P08235 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDC42BPA Q5VT25 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
SCHEMBL1632639 0.89 ROCK2 (0.42) GBA1CSNK2A2CSNK2A1ROCK2RPS6KB1
SCHEMBL1630622 0.88 GBA1 (0.41) GBA1CSNK2A2CSNK2A1ROCK2RPS6KB1
SCHEMBL1631688 0.87 GBA1 (0.42) GBA1CSNK2A2CSNK2A1ROCK2RPS6KB1
SCHEMBL4179070 0.87 ROCK2 (0.41) GBA1CSNK2A2CSNK2A1ROCK2RPS6KB1
SCHEMBL1884309 0.81 KDM4E (0.46) GBA1CSNK2A2CSNK2A1RPS6KB1AKT1
SCHEMBL1632673 0.81 GBA1 (0.47) GBA1CSNK2A2CSNK2A1RPS6KB1AKT1
SCHEMBL1632162 0.80 GBA1 (0.47) GBA1CSNK2A2CSNK2A1RPS6KB1AKT1
SCHEMBL1631787 0.80 GBA1 (0.51) GBA1CSNK2A2CSNK2A1RPS6KB1AKT1
SCHEMBL4183068 0.80 PTAFR (0.39) GBA1CSNK2A2CSNK2A1NR3C2ADRB2
SCHEMBL13743506 0.79 GBA1 (0.49) GBA1CSNK2A2CSNK2A1ROCK2ROCK1

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 1 patent. 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

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 GBA1 3801/4885CSNK2A2 534/4885CSNK2A1 714/4885

“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.