SCHEMBL720880

SCHEMBL720880

CCc1c(N)nc(-c2cc(F)c(C)c(F)c2F)nc1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA6 Q16445 2/20 0.35
DHFR P00374 4/20 0.34
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CD274 Q9NZQ7 1/20 0.31
CNR2 P34972 1/20 0.31
HPGD P15428 2/20 0.30
ALPL P05186 1/20 0.30
KDR P35968 3/20 0.30
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30
TYK2 P29597 2/20 0.30
JAK3 P52333 2/20 0.30
AURKB Q96GD4 2/20 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
SCHEMBL718683 0.84 ALPL (0.34) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL1918402 0.76 MEP1B (0.37) GABRA1GABRA5GABRA3GABRA2GABRA6
SCHEMBL10255585 0.73 DPP4 (0.45) DHFRKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2053323 0.71 KLKB1 (0.39) DHFRKDM4EHSD17B10LMNAMAPT
SCHEMBL720879 0.70 DPP4 (0.47) DHFRKDM4EALDH1A1MAPTTLR7
SCHEMBL29556353 0.68 KDM4E (0.33) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL16035178 0.68 KDM4E (0.33) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL16075496 0.68 ALPL (0.34) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL1480091 0.68 ALPL (0.34) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL20727083 0.68 DHPS (0.36) DHFRKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP GABRA1 3353/4885GABRA5 3436/4885GABRA3 3556/4885

“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.