SCHEMBL4716928

SCHEMBL4716928

O=C1Nc2ncncc2C(=O)C1c1c(F)cc(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.34
CYP3A4 P08684 7/20 0.34
TSHR P16473 4/20 0.34
CYP2C9 P11712 4/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CDC25B P30305 1/20 0.33
USP2 O75604 4/20 0.32
MAPK1 P28482 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP17A1 P05093 1/20 0.32
ALDH1A1 P00352 3/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL14005022 0.81 CYP1A2 (0.36) CYP1A2CYP3A4TSHRCYP2C9CLK4
SCHEMBL1890488 0.78 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL5225579 0.75
SCHEMBL4166555 0.73 TGM2 (0.32)
SCHEMBL14608888 0.73 PLK4 (0.38)
SCHEMBL4164860 0.73 PLK4 (0.38)
SCHEMBL14621115 0.73 CDC7 (0.36) CLK4SMN1; SMN2
SCHEMBL1889868 0.73 CDC7 (0.36) CLK4SMN1; SMN2
SCHEMBL1884372 0.66 GSK3B (0.46) CYP1A2SMN1; SMN2
SCHEMBL4164922 0.63 NOTUM (0.31)

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 9 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
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 CYP1A2 3/4885CYP3A4 12/4885TSHR 3611/4885
US-20070066605-A1 Fungicides CYP4X1, CYP4F8, CBR3 CYP1A2 26/4885CYP3A4 21/4885TSHR 93/4885

“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.