SCHEMBL20912427

SCHEMBL20912427

N=C1c2cc(OC(F)(F)F)ccc2-n2c1nc1ncccc1c2=O

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 18/20 0.80
CHRM5 P08912 1/20 0.39
CYP3A4 P08684 1/20 0.38
CXCR3 P49682 1/20 0.38

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
SCHEMBL4593926 0.89 IDO1 (1.00) IDO1CHRM5
SCHEMBL20912425 0.86 IDO1 (0.79) IDO1
SCHEMBL24777808 0.82 IDO1 (0.72) IDO1CYP3A4CXCR3
SCHEMBL20912413 0.82 IDO1 (0.78) IDO1
SCHEMBL19456573 0.81 IDO1 (0.77) IDO1
SCHEMBL20597235 0.80 IDO1 (0.66) IDO1CYP3A4CXCR3
SCHEMBL19456591 0.80 IDO1 (0.66) IDO1CYP3A4CXCR3
SCHEMBL19456420 0.80 IDO1 (0.78) IDO1
SCHEMBL20597091 0.79 IDO1 (0.66) IDO1
SCHEMBL19456598 0.79 IDO1 (0.66) IDO1

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-10669273-B2 Use of aza-tryptanthrin derivatives as inhibitors of IDO1 and/or TDO PEKING UNIVERSITY (CN) 2020-06-02 US disclosed
US-20190112308-A1 Use of Aza-Tryptanthrin Derivatives as Inhibitors of IDO1 and/or TDO PEKING UNIVERSITY (CN) 2019-04-18 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 (2 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-10669273-B2 Use of aza-tryptanthrin derivatives as inhibitors of IDO1 and/or TDO IDO1, TDO2, IDO2 IDO1 1/4885CHRM5 1374/4885CYP3A4 159/4885
US-20190112308-A1 Use of Aza-Tryptanthrin Derivatives as Inhibitors of IDO1 and/or TDO IDO1, TDO2, IDO2 IDO1 1/4885CHRM5 1374/4885CYP3A4 159/4885

“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.