SCHEMBL21730332

SCHEMBL21730332

Cc1cnc2ccc(B(O)O)cn12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.40
CA2 P00918 2/20 0.38
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADORA2A P29274 5/20 0.33
ADORA1 P30542 5/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.31
ENPP2 Q13822 2/20 0.31
CA1 P00915 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL24316477 0.80 KDM4E (0.41) CA2LPLLIPGCYP1A2CYP2C9
SCHEMBL21722503 0.79 ENPP2 (0.38) POLBENPP2
SCHEMBL20600632 0.78 POLB (0.41) TGFBR1CA2LPLLIPGKDM4E
SCHEMBL30926487 0.78 SCN5A (0.35) TGFBR1CA2LPLLIPG
SCHEMBL25205709 0.76 TGFBR1 (0.41) TGFBR1POLBENPP2
SCHEMBL10238918 0.75 CYP1A2 (0.56) TGFBR1CYP1A2CYP2C9KDM4EGLA
SCHEMBL22552094 0.75 SCN5A (0.50) TGFBR1
SCHEMBL18041473 0.75 TGFBR1 (0.43) TGFBR1
SCHEMBL31645656 0.74 KDM4E (0.38) CA2LPLLIPGKDM4EGLA
SCHEMBL21291135 0.74 TGFBR1 (0.52) TGFBR1CYP1A2CYP2C9KDM4EGLA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034125-A1 N-PHENYL-1-(PHENYLSULFONYL)PIPERIDIN-4-AMINE DERIVATIVES AS CCR6 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-02-05 US disclosed
EP-4661964-A1 COMPOUNDS AS CCR6 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-12-17 EP disclosed
US-20250353859-A1 COMPOUNDS AS CCR6 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2025-11-20 US disclosed
WO-2024165453-A1 COMPOUNDS AS CCR6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-08-15 WO disclosed
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-05-04 US disclosed
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-05-04 US disclosed
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-05-04 US disclosed
US-11629147-B2 Triazolo-pyrimidine compounds and uses thereof DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-04-18 US disclosed
US-11571420-B2 Pyrazine compounds and uses thereof DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-02-07 US disclosed
US-11571420-B2 Pyrazine compounds and uses thereof DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-02-07 US disclosed
US-20210009600-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-01-14 US disclosed
US-20210009600-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-01-14 US disclosed
US-10858365-B2 Triazolo-pyrimidine compounds and uses thereof DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-12-08 US disclosed
US-20200331918-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 US disclosed
US-20200331918-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 US disclosed
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 US disclosed
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 US disclosed
WO-2020128036-A1 MODULATORS OF THE ADENOSINE A2A RECEPTOR Ryvu Therapeutics S.A. (PL) 2020-06-25 WO disclosed
WO-2020052631-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-03-19 WO disclosed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 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 (9 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-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 TGFBR1 2449/4885CA2 2448/4885LPL 1722/4885
US-20210009600-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA3, ADORA2B TGFBR1 2444/4885CA2 3403/4885LPL 2247/4885
US-11629147-B2 Triazolo-pyrimidine compounds and uses thereof ADORA2A, ADORA3, ADORA2B TGFBR1 2444/4885CA2 3403/4885LPL 2247/4885
US-11571420-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 TGFBR1 2449/4885CA2 2448/4885LPL 1722/4885
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 TGFBR1 2449/4885CA2 2448/4885LPL 1722/4885
US-10858365-B2 Triazolo-pyrimidine compounds and uses thereof ADORA2A, ADORA3, ADORA2B TGFBR1 2444/4885CA2 3403/4885LPL 2247/4885
US-20200331918-A1 TRIAZOLO-PYRIMIDINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA3, ADORA2B TGFBR1 2444/4885CA2 3403/4885LPL 2247/4885
US-20260034125-A1 N-PHENYL-1-(PHENYLSULFONYL)PIPERIDIN-4-AMINE DERIVATIVES AS CCR6 INHIBITORS CCR6, CCR1, CCR4 TGFBR1 326/4885CA2 897/4885LPL 2992/4885
US-20250353859-A1 COMPOUNDS AS CCR6 INHIBITORS CCR6, CCR4, CCR1 TGFBR1 704/4885CA2 2320/4885LPL 4169/4885

“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.