SCHEMBL21592287

SCHEMBL21592287

CCn1cc(CN(CCCn2ccnc2)Cc2ccncc2)c(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.52
▸ TBXAS1 P24557 3/20 0.52
▸ IDH1 O75874 4/20 0.42
▸ GSK3B P49841 6/20 0.41
▸ QPCT Q16769 5/20 0.41
▸ IDE P14735 1/20 0.41

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
SCHEMBL21592239 0.90 IDH1 (0.46) IDH1GSK3BQPCTIDE
SCHEMBL21591502 0.79 CYP11B1 (0.59) CYP19A1
SCHEMBL21592240 0.79 KMT2A (0.49) CYP19A1TBXAS1GSK3BQPCTIDE
SCHEMBL21592259 0.78 IDH1 (0.41) CYP19A1IDH1GSK3BQPCTIDE
SCHEMBL21591454 0.76 CYP11B1 (0.58) CYP19A1
SCHEMBL21591444 0.75 CYP11B1 (0.42) CYP19A1
SCHEMBL21592249 0.74 CYP11B1 (0.41) CYP19A1GSK3BQPCT
SCHEMBL21592272 0.73 NPC1 (0.48) CYP19A1
SCHEMBL21591439 0.72 CYP11B1 (0.37) —
SCHEMBL21592252 0.71 KDM4E (0.40) CYP19A1

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-20220402898-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2022-12-22 — — US disclosed
WO-2019238786-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2019-12-19 — — WO 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-20220402898-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) STING1, IRF3, CGAS CYP19A1 589/4885TBXAS1 14/4885IDH1 4176/4885

“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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