SCHEMBL21747138

SCHEMBL21747138

C=C/N=C1/C=CC=CC1=C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ DNMT1 P26358 1/20 0.32

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
SCHEMBL19221037 0.84 IDO1 (0.38) IDO1TDO2NSD2DNMT1
SCHEMBL13176654 0.75 — —
SCHEMBL12799853 0.73 IDO1 (0.31) IDO1TDO2NSD2DNMT1
SCHEMBL22446783 0.73 IDO1 (0.31) IDO1TDO2NSD2DNMT1
SCHEMBL19673942 0.73 — —
SCHEMBL10198811 0.70 — —
SCHEMBL18522420 0.70 — —
SCHEMBL19558234 0.70 — —
SCHEMBL19976750 0.70 — —
SCHEMBL12411438 0.69 — —

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-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY 2020-02-20 — — 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-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS BMP1, BMP4, BMPR2 IDO1 4551/4885TDO2 4494/4885NSD2 2061/4885

“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.

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