SCHEMBL4517455

SCHEMBL4517455

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 2/20 0.40
STK3 Q13188 2/20 0.40
LRRK2 Q5S007 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FYN P06241 5/20 0.39
TOP2A P11388 1/20 0.38
GRIN2B Q13224 2/20 0.35
MTOR P42345 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAP4K4 O95819 2/20 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
SCHEMBL4516320 0.93 FYN (0.37) STK4STK3LRRK2NPC1RAB9A
SCHEMBL4525365 0.86 PIK3CA (0.38) ALDH1A1LMNAPOLBMAP4K4GSK3B
SCHEMBL4525263 0.86 CHEK1 (0.39) STK4STK3LRRK2ALDH1A1POLB
SCHEMBL4512708 0.80 SLC9A5 (0.37) STK4STK3LRRK2ALDH1A1LMNA
SCHEMBL4515991 0.79 PIK3CA (0.35) ALDH1A1MAP4K4GSK3BPIK3CA
SCHEMBL4509953 0.78 FFAR4 (0.34) STK4STK3LRRK2ALDH1A1IRAK4
SCHEMBL4514397 0.78 MAPK14 (0.35) ALDH1A1MAP4K4CDK2PIK3CA
SCHEMBL4524040 0.77 KDM4E (0.36) STK4STK3LRRK2ALDH1A1
SCHEMBL4514883 0.75 FYN (0.45) FYNTOP2AMTORCYP17A1CYP3A4
SCHEMBL4517460 0.71 VSIR (0.45) FYNTOP2AMAP4K4CDC7ROCK2

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 STK4 2441/4885STK3 2426/4885LRRK2 1123/4885

“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.