SCHEMBL720168

SCHEMBL720168

C=Cc1c(N)nc(-c2ccc(F)c(C(F)(F)F)c2)nc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.39
CFTR P13569 1/20 0.39
NOTUM Q6P988 2/20 0.38
KMO O15229 2/20 0.38
RPS6KB1 P23443 4/20 0.38
PDGFRB P09619 2/20 0.36
KDR P35968 2/20 0.36
F2RL3 Q96RI0 1/20 0.36
AKT1 P31749 3/20 0.36
ERAP1 Q9NZ08 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.36
RIPK1 Q13546 1/20 0.35

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
SCHEMBL29556077 0.93 KIF11 (0.42) CFTRNOTUMPDGFRBKDR
SCHEMBL16036298 0.93 KIF11 (0.42) CFTRNOTUMPDGFRBKDR
SCHEMBL719560 0.90 NOTUM (0.51) CFTRNOTUMPDGFRBKDRLMNA
SCHEMBL719542 0.88 ERN1 (0.39) PDGFRBKDRMAPT
SCHEMBL716684 0.86 KDM4E (0.36) RPS6KB1PDGFRBKDRLMNA
SCHEMBL720845 0.85 MAPT (0.39) MAPT
SCHEMBL716661 0.85 KDM4E (0.43) NOTUMKMOPDGFRBKDRMAPT
SCHEMBL719375 0.84 ADORA3 (0.41) CFTRPDGFRBKDRMAPT
SCHEMBL719097 0.84 KDM4E (0.42) NOTUMKMOPDGFRBKDRMAPT
SCHEMBL718383 0.83 LMNA (0.41) LMNAMAPT

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 2 patents. 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
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 MPL 2960/4885CFTR 4034/4885NOTUM 644/4885

“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.