SCHEMBL21790441

SCHEMBL21790441

CCCC(C)(C)Nc1cc(F)c(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.35
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
SCHEMBL12403860 0.79 RAPGEF4 (0.42) RAPGEF4RIPK1
SCHEMBL21790579 0.75 TDO2 (0.34) RAPGEF4
SCHEMBL21790748 0.75 TAS1R3 (0.40)
SCHEMBL23084860 0.74 KDM4E (0.38)
SCHEMBL21790791 0.73 MEN1 (0.42) RAPGEF4
SCHEMBL21790800 0.72 KMT2A (0.43)
SCHEMBL24979193 0.70 AR (0.32)
SCHEMBL20332825 0.69 RIPK1 (0.38) RIPK1
SCHEMBL1453847 0.69 GAA (0.43)
SCHEMBL21790802 0.69 PTGS2 (0.44)

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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 RAPGEF4 3156/4885RIPK1 3444/4885

“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.