SCHEMBL4164860

SCHEMBL4164860

O=C1Nc2nnccc2C(=O)C1c1c(F)cc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
CHEK2 O96017 1/20 0.38
LCK P06239 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
BLK P51451 1/20 0.38
CDK5 Q00535 1/20 0.38
STK3 Q13188 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL14608888 1.00 PLK4 (0.38) PLK4AURKACHEK2LCKCDK2
SCHEMBL1890488 0.81 CYP1A2 (0.39) GSK3AGSK3BCDK5
SCHEMBL4164922 0.80 NOTUM (0.31) GSK3AGSK3B
SCHEMBL5225579 0.78
SCHEMBL14621115 0.76 CDC7 (0.36) CDK2GSK3AGSK3BCDK5
SCHEMBL1889868 0.76 CDC7 (0.36) CDK2GSK3AGSK3BCDK5
SCHEMBL4166555 0.73 TGM2 (0.32)
SCHEMBL4716928 0.73 CYP1A2 (0.34)
SCHEMBL1884372 0.69 GSK3B (0.46) LCKCDK2GSK3AGSK3BCDK5
SCHEMBL14005022 0.64 CYP1A2 (0.36)

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-20090069333-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-03-12 US disclosed
US-20090069333-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-03-12 US disclosed
US-20090069333-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-03-12 US disclosed
US-7410967-B2 Pyridodiazines as plant fungicides SYNGENTA CROP PROTECTION, INC. (US) 2008-08-12 US disclosed
US-7410967-B2 Pyridodiazines as plant fungicides SYNGENTA CROP PROTECTION, INC. (US) 2008-08-12 US disclosed
US-7410967-B2 Pyridodiazines as plant fungicides SYNGENTA CROP PROTECTION, INC. (US) 2008-08-12 US disclosed
EP-1575948-B1 PYRIDODIAZINES AS PLANT FUNGICIDES SYNGENTA LTD (GB) 2007-02-14 EP disclosed
US-20060205717-A1 Pyridodiazines as plant fungicides SYNGENTA CROP PROTECTION, INC. 2006-09-14 US disclosed
EP-1575948-A1 PYRIDODIAZINES AS PLANT FUNGICIDES Syngenta Limited (GB) 2005-09-21 EP disclosed
WO-2004056825-A1 PYRIDODIAZINES AS PLANT 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-20090069333-A1 FUNGICIDES CYP4Z1, CYP4X1, PRXL2A PLK4 373/4885AURKA 1516/4885CHEK2 2674/4885
US-20060205717-A1 Pyridodiazines as plant fungicides CYP4Z1, CYP4X1, PNPO PLK4 464/4885AURKA 2314/4885CHEK2 3474/4885

“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.