SCHEMBL2680949

SCHEMBL2680949

O=C(Nc1ccc(C(F)(F)F)nc1C1CCN(Cc2ccc(-c3ncc(Cl)cn3)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.42
ACKR3 P25106 3/20 0.39
MCHR1 Q99705 2/20 0.38
HTR2C P28335 1/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
BRAF P15056 1/20 0.38
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC1 Q13547 1/20 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
SCHEMBL2681822 0.95 MCHR1 (0.41) F10ACKR3MCHR1HTR2CIKBKE
SCHEMBL1727318 0.91 MCHR1 (0.44) ACKR3MCHR1HTR2CHDAC1
SCHEMBL2680635 0.88 F10 (0.43) F10ACKR3MCHR1HTR2CTBK1
SCHEMBL2681546 0.88 ACHE (0.37) F10MCHR1HTR2CIKBKETBK1
SCHEMBL4442622 0.86 HDAC4 (0.34) F10MCHR1MEN1KMT2AHDAC1
SCHEMBL2682590 0.86 F10 (0.42) F10ACKR3MCHR1HTR2CTBK1
SCHEMBL2681297 0.86 F10 (0.40) F10MCHR1HTR2CTBK1KMT2A
SCHEMBL2681885 0.85 F10 (0.44) F10BRAFHIF1AEPAS1MEN1
Hydrochloric Acid SCHEMBL2681741 0.85 F10 (0.43) F10BRAFHIF1AEPAS1MEN1
SCHEMBL4402603 0.84 GPR6 (0.43) F10MCHR1HTR2CHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451801-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-13 EP disclosed
EP-2451801-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-13 EP disclosed
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
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 F10 1116/4885ACKR3 1584/4885MCHR1 176/4885

“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.