SCHEMBL19036600

SCHEMBL19036600

CCn1cnc(NC)c1C(=O)NC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 7/20 0.37
▸ P2RY1 P47900 5/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PLK1 P53350 2/20 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
SCHEMBL9010469 0.87 IKBKB (0.36) YTHDC1P2RY1IKBKBCHUKNPC1
SCHEMBL18175167 0.84 LMNA (0.37) YTHDC1P2RY1IKBKBCHUK
SCHEMBL10280149 0.83 TRPA1 (0.36) YTHDC1P2RY1IKBKBCHUK
SCHEMBL6092162 0.81 APOBEC3A (0.36) YTHDC1NPC1RAB9APLK1
SCHEMBL19036512 0.80 P2RY1 (0.37) YTHDC1P2RY1IKBKBCHUK
SCHEMBL29188197 0.79 POLB (0.41) P2RY1
SCHEMBL27967273 0.78 KMT2A (0.42) YTHDC1P2RY1IKBKBCHUK
SCHEMBL20079775 0.77 PTGS2 (0.43) —
SCHEMBL20079735 0.71 POLB (0.48) NPC1RAB9A
SCHEMBL20161992 0.71 PDE10A (0.31) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 — — US disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 — — US disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 — — EP 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-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 YTHDC1 4155/4885P2RY1 1600/4885IKBKB 2551/4885

“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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