SCHEMBL24009068

SCHEMBL24009068

CCOc1cccc2c(O)c(C#N)cnc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.41
▸ ERBB2 P04626 3/20 0.41
▸ SLC6A3 Q01959 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ STK4 Q13043 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PIP4K2A P48426 1/20 0.37

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
SCHEMBL24009071 0.86 SLC6A3 (0.40) EGFRERBB2SLC6A3HPGDS
SCHEMBL24009065 0.83 ALDH1A1 (0.43) EGFRERBB2SLC6A3LMNACYP1A2
SCHEMBL4257470 0.76 AR (0.43) LMNACYP1A2CYP3A4GRM5ALDH1A1
SCHEMBL11701895 0.75 DYRK1A (0.41) EGFRERBB2ALDH1A1
SCHEMBL11235620 0.73 MEN1 (0.57) LMNA
SCHEMBL24392645 0.72 HPGDS (0.51) SLC6A3HPGDS
SCHEMBL24009063 0.71 ADORA2B (0.49) LMNAADORA2BPKMALDH1A1
SCHEMBL6195619 0.70 KMT2A (0.47) ALDH1A1
SCHEMBL3691358 0.70 HTR1A (0.45) LMNACYP3A4ADORA2BALDH1A1
SCHEMBL8803159 0.70 ADORA2B (0.54) ADORA2BPKMALDH1A1

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-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 — — CN disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 — — 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 EGFR 4147/4885ERBB2 2359/4885SLC6A3 3584/4885

“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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