SCHEMBL4514397

SCHEMBL4514397

CN(CCCCO)c1c(-c2ccc(F)cc2)ccnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.35
PIK3CA P42336 2/20 0.35
CSNK1D P48730 2/20 0.34
CSNK1E P49674 1/20 0.34
EGFR P00533 2/20 0.34
KDM4E B2RXH2 2/20 0.33
RPS6KA3 P51812 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MAP4K4 O95819 1/20 0.33
MAPK9 P45984 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDC42BPA Q5VT25 1/20 0.33
AURKB Q96GD4 1/20 0.33
MAP4K5 Q9Y4K4 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
SCHEMBL4515991 0.96 PIK3CA (0.35) MAPK14PIK3CACSNK1DCSNK1EEGFR
SCHEMBL4525365 0.91 PIK3CA (0.38) PIK3CACSNK1DCSNK1EKDM4ERPS6KA3
SCHEMBL4524040 0.87 KDM4E (0.36) MAPK14CSNK1DKDM4EALDH1A1SMN1; SMN2
SCHEMBL4516320 0.83 FYN (0.37) ALDH1A1FFAR4CDK2MAP4K4
SCHEMBL4509953 0.83 FFAR4 (0.34) MAPK14CSNK1DKDM4EALDH1A1SMN1; SMN2
SCHEMBL4512708 0.80 SLC9A5 (0.37) KDM4EALDH1A1L3MBTL1AURKB
SCHEMBL4517455 0.78 STK4 (0.40) PIK3CAALDH1A1CDK2MAP4K4
SCHEMBL4525263 0.77 CHEK1 (0.39) MAPK14CSNK1DKDM4EALDH1A1SMN1; SMN2
SCHEMBL4514401 0.69 CHRM2 (0.38) MAPK14EGFRKDM4ERPS6KA3ALDH1A1
SCHEMBL4523437 0.68 RPS6KA3 (0.41) MAPK14CSNK1DCSNK1EKDM4ERPS6KA3

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 MAPK14 2270/4885PIK3CA 1478/4885CSNK1D 2824/4885

“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.