SCHEMBL4401605

SCHEMBL4401605

Cc1cc(F)c(NC(=O)c2ccnc(Cl)c2)c(C2CCN(Cc3ccc(-c4ncc(Cl)cn4)cc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
GSK3B P49841 4/20 0.39
ACKR3 P25106 2/20 0.38
ABL1 P00519 1/20 0.38
CXCR3 P49682 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
BCHE P06276 1/20 0.38
MAPK14 Q16539 1/20 0.37
MCHR1 Q99705 4/20 0.37
HTR2C P28335 3/20 0.37
F10 P00742 3/20 0.37
CSNK1D P48730 2/20 0.37
CSNK1E P49674 2/20 0.37

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
SCHEMBL12535714 0.91 ACHE (0.44) ACHEGSK3BACKR3BCHEMCHR1
SCHEMBL2681546 0.89 ACHE (0.37) ACHEGSK3BABL1TBK1BCHE
SCHEMBL2680635 0.87 F10 (0.43) ACKR3ABL1TBK1MAPK14MCHR1
SCHEMBL4402603 0.84 GPR6 (0.43) ACHEGSK3BABL1BCHEMCHR1
SCHEMBL2682590 0.81 F10 (0.42) ACKR3CXCR3TBK1MCHR1HTR2C
SCHEMBL1726798 0.81 CSNK1D (0.41) ACHEGSK3BACKR3BCHEMCHR1
SCHEMBL2680949 0.80 F10 (0.42) ACKR3TBK1MCHR1HTR2CF10
SCHEMBL9884604 0.80 MCHR1 (0.40) MCHR1
SCHEMBL12535706 0.79 MCHR1 (0.47) ACHEGSK3BACKR3BCHEMCHR1
SCHEMBL4401608 0.79 F10 (0.44) GSK3BACKR3MAPK14MCHR1HTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586593-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-11-19 US disclosed
US-20120115884-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 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-20120115884-A1 INSECTICIDAL COMPOUNDS ACHE, C1R, C5 ACHE 1/4885GSK3B 3390/4885ACKR3 1584/4885

“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.