SCHEMBL4525263

SCHEMBL4525263

CN(CCO)c1c(-c2ccccc2)ccnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.39
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
LRRK2 Q5S007 1/20 0.38
POLB P06746 1/20 0.36
HTR7 P34969 2/20 0.35
PDCD1 Q15116 3/20 0.34
CD274 Q9NZQ7 3/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC9A5 Q14940 1/20 0.34
TACR1 P25103 2/20 0.33
HTR1A P08908 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CSNK1D P48730 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 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
SCHEMBL4509953 0.92 FFAR4 (0.34) CHEK1STK4STK3LRRK2HTR7
SCHEMBL4524040 0.90 KDM4E (0.36) CHEK1STK4STK3LRRK2HTR7
SCHEMBL4512708 0.88 SLC9A5 (0.37) STK4STK3LRRK2POLBKDM4E
SCHEMBL4525365 0.86 PIK3CA (0.38) POLBKDM4EALDH1A1SMN1; SMN2SLC9A5
SCHEMBL4517455 0.86 STK4 (0.40) STK4STK3LRRK2POLBALDH1A1
SCHEMBL4516320 0.79 FYN (0.37) STK4STK3LRRK2POLBHTR7
SCHEMBL4515991 0.78 PIK3CA (0.35) KDM4EALDH1A1SMN1; SMN2L3MBTL1CSNK1D
SCHEMBL4514397 0.77 MAPK14 (0.35) KDM4EALDH1A1SMN1; SMN2L3MBTL1CSNK1D
SCHEMBL2511037 0.69 FYN (0.39) CHEK1LRRK2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12765339 0.69 CHEK1 (0.45) CHEK1LRRK2PDCD1CD274ALDH1A1

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 CHEK1 4149/4885STK4 2441/4885STK3 2426/4885

“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.