SCHEMBL21756794

SCHEMBL21756794

CC(C)(C)OC(=O)Cn1nc(C(N)O)c2cc(-c3cnc(N4CCCC4)nc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.41
GPR119 Q8TDV5 1/20 0.38
CFD P00746 5/20 0.34
TNF P01375 1/20 0.33

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
SCHEMBL17037522 0.86 AOC3 (0.40) AOC3GPR119CFD
SCHEMBL21159501 0.84 HDAC8 (0.38) GPR119CFD
SCHEMBL21159191 0.79 CFD (0.42) CFD
SCHEMBL21159405 0.77 CFD (0.40) CFD
SCHEMBL20992364 0.77 CFD (0.40) GPR119CFD
SCHEMBL26253941 0.77 FPR2 (0.37)
SCHEMBL20992372 0.76 CFD (0.39) CFD
SCHEMBL20307121 0.75 MAPT (0.36) CFD
SCHEMBL21159406 0.74 CFD (0.40) GPR119CFD
SCHEMBL18649190 0.73 CFD (0.35) CFD

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-20200062790-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-27 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-20200062790-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 AOC3 335/4885GPR119 700/4885CFD 2/4885

“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.