SCHEMBL19222563

SCHEMBL19222563

CNc1ccnc(CO)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 12/20 0.46
▸ CYP1A2 P05177 5/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP2D6 P10635 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NCF1 P14598 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NUDT1 P36639 2/20 0.36

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
SCHEMBL3350064 0.82 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6MAPT
SCHEMBL28624697 0.80 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6MAPT
SCHEMBL19222561 0.80 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6MAPT
SCHEMBL18989942 0.76 SORD (0.42) SORD
SCHEMBL29909710 0.72 — —
SCHEMBL30168270 0.72 — —
SCHEMBL6056854 0.72 — —
SCHEMBL13034200 0.72 — —
SCHEMBL445950 0.72 — —
SCHEMBL10065608 0.70 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6MAPT

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-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 — — US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 — — US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 — — 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-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A SORD 2784/4885CYP1A2 805/4885CYP3A4 745/4885

“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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