SCHEMBL1890488

SCHEMBL1890488

O=C1Nc2ncccc2C(=O)C1c1c(F)cc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TNKS2 Q9H2K2 4/20 0.39
GSK3B P49841 3/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCL1 Q07820 1/20 0.36
KMT2A Q03164 2/20 0.36
AKT1 P31749 1/20 0.36
GSK3A P49840 1/20 0.35
CTRC Q99895 1/20 0.34
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33

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
SCHEMBL4164860 0.81 PLK4 (0.38) GSK3BGSK3ACDK5
SCHEMBL14608888 0.81 PLK4 (0.38) GSK3BGSK3ACDK5
SCHEMBL1884372 0.80 GSK3B (0.46) CYP1A2SMN1; SMN2GSK3BGAAKMT2A
SCHEMBL4716928 0.78 CYP1A2 (0.34) CYP1A2SMN1; SMN2ALDH1A1CYP2C9CYP2C19
SCHEMBL1889868 0.73 CDC7 (0.36) SMN1; SMN2GSK3BMAPTNPC1RAB9A
SCHEMBL14621115 0.73 CDC7 (0.36) SMN1; SMN2GSK3BMAPTNPC1RAB9A
SCHEMBL5225579 0.72
SCHEMBL4166555 0.70 TGM2 (0.32)
SCHEMBL3422239 0.70 CYP1A2 (0.47) CYP1A2SMN1; SMN2TNKS2GSK3BALDH1A1
SCHEMBL4164922 0.69 NOTUM (0.31) GSK3BGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947679-B2 Fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-05-24 US disclosed
US-7947679-B2 Fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-05-24 US disclosed
US-7947679-B2 Fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-05-24 US disclosed
EP-1585746-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA LTD (GB) 2007-01-31 EP disclosed
EP-1585746-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA LTD (GB) 2007-01-31 EP disclosed
US-20060069089-A1 Fungicides SYNGENTA CROP PROTECTION, INC. 2006-03-30 US disclosed
EP-1585746-A2 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Limited (GB) 2005-10-19 EP disclosed
WO-2004056824-A2 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS 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 (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-20060069089-A1 Fungicides CBR3, TACR3, HCRTR1 CYP1A2 202/4885SMN1; SMN2 2883/4885TNKS2 4123/4885

“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.