SCHEMBL24010161

SCHEMBL24010161

COc1ccnc2c(-c3ccc(CS(C)(=N)=O)cc3)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 10/20 0.40
▸ CDK2 P24941 9/20 0.40
▸ CCNT1 O60563 5/20 0.40
▸ CCNK O75909 3/20 0.40
▸ CCNE1 P24864 3/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ CCNE2 O96020 1/20 0.35
▸ YES1 P07947 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ FGR P09769 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ EPHA1 P21709 1/20 0.35
▸ ABL2 P42684 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL24010176 0.82 CDK9 (0.39) CDK9CDK2CCNT1CCNKCCNE1
SCHEMBL24008908 0.77 ENPP3 (0.46) CDK9CDK2CCNT1CCNKCCNE1
SCHEMBL24010177 0.73 ENPP1 (0.41) CDK9CDK2CCNT1CCNKCCNE1
SCHEMBL24010159 0.73 ENPP3 (0.66) ENPP3ENPP1HTR1AADRA1DADRA1A
SCHEMBL24010160 0.72 ENPP3 (0.46) CDK9CDK2CCNT1CCNKCCNE1
SCHEMBL24009016 0.72 CDK2 (0.42) CDK9CDK2CCNT1CCNKCCNE1
SCHEMBL24010506 0.71 CA12 (0.45) ENPP3ENPP1AURKBINCENP
SCHEMBL24837393 0.70 MET (0.46) —
SCHEMBL13313439 0.68 HTR1A (0.48) SLC40A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL24010098 0.67 APLNR (0.55) PTGS2

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 CDK9 2095/4885CDK2 1509/4885CCNT1 4139/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 CDK9 2095/4885CDK2 1509/4885CCNT1 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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