SCHEMBL115080

SCHEMBL115080

Cc1ccccc1-c1c(O)c2cn(C)nc2n(CC(F)(F)F)c1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 15/20 0.43
CASR P41180 2/20 0.38
BRD4 O60885 1/20 0.36
TACR1 P25103 2/20 0.36

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
SCHEMBL115176 0.86 KDM4E (0.42) METAP2CASRBRD4TACR1
SCHEMBL113668 0.84 CASR (0.38) CASRBRD4TACR1
SCHEMBL113670 0.82 CASR (0.38) CASRBRD4TACR1
SCHEMBL115108 0.82 METAP2 (0.43) METAP2
SCHEMBL115214 0.82 BRD4 (0.42) CASRBRD4TACR1
SCHEMBL115047 0.80 METAP2 (0.43) METAP2BRD4TACR1
SCHEMBL113625 0.77 METAP2 (0.41) METAP2CASR
SCHEMBL115974 0.76 METAP2 (0.42) METAP2
SCHEMBL116024 0.76 METAP2 (0.39) METAP2BRD4TACR1
SCHEMBL114967 0.76 METAP2 (0.39) METAP2BRD4TACR1

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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 METAP2 2747/4885CASR 4298/4885BRD4 3524/4885

“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.