SCHEMBL17110499

SCHEMBL17110499

Fc1ccc(Nc2nc(Cl)nc(Nc3ccc(F)cc3F)n2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.67
TXN P10599 1/20 0.49
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
AKT1 P31749 1/20 0.41
SOS1 Q07889 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL17110585 0.91 APP (0.55) APPGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL19489880 0.86 APP (0.52) APPGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL17220229 0.76 DHFR (0.48) APPTXNKDM4EALDH1A1SMN1; SMN2
SCHEMBL17110641 0.75 DHFR (0.45) APPGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL19787673 0.74 APP (0.46) APPGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL13395042 0.74 TSHR (0.67) APPTXNKDM4EALDH1A1SMN1; SMN2
SCHEMBL5391046 0.73 NPC1 (0.52) APPGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL535866 0.73 TXN (0.82) APPTXNSMN1; SMN2NPC1NFKB1
SCHEMBL10376013 0.72 GAA (0.59) APPGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL27145735 0.70 SOS1 (0.50) APPGAAKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-04-13 US disclosed
EP-3122736-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-01 EP disclosed
WO-2015144881-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-01 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-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES DRD3, CBR3, ATL3 APP 3869/4885TXN 1464/4885GAA 4286/4885

“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.