SCHEMBL4516320

SCHEMBL4516320

CN(CCCO)c1c(-c2cccc(F)c2)ccnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.37
TOP2A P11388 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
STK4 Q13043 1/20 0.35
STK3 Q13188 1/20 0.35
LRRK2 Q5S007 1/20 0.35
GRIN2B Q13224 2/20 0.34
MTOR P42345 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDK9 P50750 1/20 0.34
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL4517455 0.93 STK4 (0.40) FYNTOP2ASTK4STK3LRRK2
SCHEMBL4515991 0.87 PIK3CA (0.35) FFAR4ALDH1A1MAP4K4GSK3B
SCHEMBL4509953 0.86 FFAR4 (0.34) FFAR4STK4STK3LRRK2ALDH1A1
SCHEMBL4514397 0.83 MAPK14 (0.35) FFAR4ALDH1A1MAP4K4CDK2
SCHEMBL4524040 0.83 KDM4E (0.36) FFAR4STK4STK3LRRK2ALDH1A1
SCHEMBL4525263 0.79 CHEK1 (0.39) STK4STK3LRRK2ALDH1A1POLB
SCHEMBL4514883 0.73 FYN (0.45) FYNTOP2AMTORCDC7ROCK2
SCHEMBL4512708 0.73 SLC9A5 (0.37) STK4STK3LRRK2ALDH1A1LMNA
SCHEMBL4516325 0.72 VSIR (0.40) FYNTOP2ASTK4STK3LRRK2
SCHEMBL4517460 0.69 VSIR (0.45) FYNTOP2ACDK9CDC7ROCK2

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-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
US-20060199795-A1 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1591120-A1 RECEPTOR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2005-11-02 EP 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-20060199795-A1 Receptor agonists GPBAR1, GPR35, GPR55 FYN 2015/4885TOP2A 4598/4885FFAR4 26/4885

“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.