SCHEMBL4718003

SCHEMBL4718003

CCC(C)Nc1nc2ncncc2c(Cl)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
GLP1R P43220 1/20 0.32
LATS1 O95835 3/20 0.31
LATS2 Q9NRM7 3/20 0.31

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
SCHEMBL4720835 0.83 TP53 (0.31) TP53
SCHEMBL4716898 0.80 TP53 (0.32) TP53
SCHEMBL14086452 0.79 CXCR2 (0.35) TP53LMNAGAAHTTGLP1R
SCHEMBL4718820 0.76
SCHEMBL5751959 0.74 ACLY (0.30)
SCHEMBL12660311 0.72 MAPK14 (0.35) LMNAHTT
SCHEMBL1882670 0.70 MAPK14 (0.39)
SCHEMBL14086466 0.70 GLP1R (0.37) GLP1RLATS1LATS2
SCHEMBL5748131 0.67 CDC7 (0.34) LMNA
SCHEMBL14086454 0.67 CXCR2 (0.33) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287472-A1 Fungicides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-20 US disclosed
US-20080287472-A1 Fungicides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-20 US disclosed
US-20080287472-A1 Fungicides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-20 US disclosed
EP-1575949-B1 FUNGICIDES SYNGENTA LTD (GB) 2008-04-02 EP disclosed
EP-1575949-B1 FUNGICIDES SYNGENTA LTD (GB) 2008-04-02 EP disclosed
US-20070066605-A1 Fungicides SYNGENTA CROP PROTECTION, INC. 2007-03-22 US disclosed
US-20070066605-A1 Fungicides SYNGENTA CROP PROTECTION, INC. 2007-03-22 US disclosed
US-20070066605-A1 Fungicides SYNGENTA CROP PROTECTION, INC. 2007-03-22 US disclosed
EP-1575949-A1 FUNGICIDES Syngenta Limited (GB) 2005-09-21 EP disclosed
WO-2004056826-A1 FUNGICIDES SYNGENTA LIMITED (GB) 2004-07-08 WO 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 (2 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-20080287472-A1 Fungicides PNPO, CYP4X1, CYP1A2 TP53 3375/4885LMNA 3502/4885GAA 496/4885
US-20070066605-A1 Fungicides CYP4X1, CYP4F8, CBR3 TP53 4668/4885LMNA 1745/4885GAA 3912/4885

“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.