SCHEMBL24009016

SCHEMBL24009016

COc1cccc2c(-c3ccc(CS(C)(=N)=O)cc3)ncnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.42
▸ CDK9 P50750 6/20 0.42
▸ CCNT1 O60563 5/20 0.42
▸ CCNE1 P24864 4/20 0.42
▸ CCNK O75909 3/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CCNE2 O96020 1/20 0.42
▸ YES1 P07947 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ FGR P09769 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ EPHA1 P21709 1/20 0.42
▸ ABL2 P42684 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ EPHB1 P54762 1/20 0.42
▸ CCNA1 P78396 1/20 0.42

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
SCHEMBL24009039 0.88 HTR1A (0.36) CDK2CDK9CCNT1CCNE1CCNK
SCHEMBL24010570 0.81 KIT (0.55) KITEGFRENPP1
SCHEMBL19390600 0.78 HTR1A (0.42) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL24010195 0.77 NR1H2 (0.42) CDK2CDK9CCNT1CCNE1CCNK
SCHEMBL30160961 0.77 NR1H2 (0.42) CDK2CDK9CCNT1CCNE1CCNK
SCHEMBL17178224 0.76 TNKS (0.50) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL13313198 0.76 ADORA2A (0.51) HTR1AADRA1DADRA1AADRA1BEGFR
SCHEMBL22291011 0.75 ENPP1 (0.50) HTR1AADRA1DADRA1AADRA1BPDE5A
SCHEMBL24010161 0.72 CDK9 (0.40) CDK2CDK9CCNT1CCNE1CCNK
SCHEMBL17174414 0.71 TNKS (0.40) HTR1AADRA1DADRA1AADRA1BEGFR

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 4 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
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 — — US 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 (2 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 CDK2 1509/4885CDK9 2095/4885CCNT1 4139/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 CDK2 1509/4885CDK9 2095/4885CCNT1 4139/4885

“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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