SCHEMBL1630622

SCHEMBL1630622

NC(=O)C(c1cccnc1)c1cc(F)c(-c2cn[nH]c2)nc1NCCc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
ROCK2 O75116 8/20 0.40
CSNK2A2 P19784 2/20 0.39
CSNK2A1 P68400 2/20 0.39
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
ROCK1 Q13464 2/20 0.35
CDC42BPA Q5VT25 1/20 0.35
CDC7 O00311 1/20 0.34
PIM1 P11309 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ADRB2 P07550 1/20 0.34
NR3C2 P08235 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 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
SCHEMBL1631688 0.92 GBA1 (0.42) GBA1ROCK2CSNK2A2CSNK2A1ADRB1
SCHEMBL1632639 0.88 ROCK2 (0.42) GBA1ROCK2CSNK2A2CSNK2A1ADRB1
SCHEMBL4186002 0.88 GBA1 (0.46) GBA1ROCK2CSNK2A2CSNK2A1ADRB1
SCHEMBL1631000 0.86 ROCK2 (0.40) GBA1ROCK2CSNK2A2CSNK2A1RPS6KB1
SCHEMBL1630888 0.85 ROCK2 (0.40) GBA1ROCK2CSNK2A2CSNK2A1RPS6KB1
SCHEMBL1632562 0.85 PDPK1 (0.40) GBA1CSNK2A2CSNK2A1RPS6KB1GSK3B
SCHEMBL1630723 0.83 GBA1 (0.48) GBA1CSNK2A2CSNK2A1ADRB1ADRB3
SCHEMBL1630604 0.82 NAMPT (0.34) ROCK2ADRB3ROCK1CDK2KDM4E
SCHEMBL1631252 0.81 GBA1 (0.50) GBA1CSNK2A2CSNK2A1RPS6KB1AKT1
SCHEMBL1632855 0.81 GBA1 (0.43) GBA1CSNK2A2CSNK2A1ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US claimed
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-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 GBA1 4031/4885ROCK2 68/4885CSNK2A2 595/4885

“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.