SCHEMBL1632048

SCHEMBL1632048

NCc1cccc(CNC(=O)c2cc(Br)c(-c3ccccc3)nc2NCCc2cccc(F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
GBA1 P04062 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KLKB1 P03952 4/20 0.37
KLK1 P06870 3/20 0.37
LMNA P02545 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CSNK2A2 P19784 2/20 0.37
CSNK2A1 P68400 2/20 0.37
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL1631278 0.88 MAPK1 (0.43) KLKB1KLK1RPS6KB1
SCHEMBL1631874 0.85 KDM4E (0.43) F2F7F3GBA1MAPT
SCHEMBL1880742 0.83 RPS6KB1 (0.42) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1631893 0.80 KDM4E (0.42) F2F7F3GBA1MAPT
SCHEMBL1880608 0.79 KDM4E (0.46) F2F7F3GBA1MAPT
SCHEMBL1884248 0.79 GBA1 (0.47) GBA1MAPTKDM4EMEN1KMT2A
SCHEMBL1885154 0.79 ROCK2 (0.44) GBA1MAPTKDM4EMEN1KMT2A
SCHEMBL1632657 0.79 MAPT (0.43) F2F7F3GBA1MAPT
SCHEMBL12638990 0.79 KDM4E (0.51) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL12724312 0.78 GBA1 (0.51) GBA1MAPTKDM4EMEN1KMT2A

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 F2 2588/4885F7 3932/4885F3 2021/4885

“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.