Sugi Predict

Sugi Predict / Compounds / SCHEMBL5108779

SCHEMBL5108779

SCHEMBL5108779

N#Cc1cnc(N)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1A1 P48729 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ CYP11B2 P19099 3/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.39
▸ KHK P50053 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ ABL1 P00519 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
SCHEMBL30203623 1.00 CSNK1A1 (0.50) CSNK1A1CLK4CYP11B2TRPV4KHK
SCHEMBL16668748 0.80 CSNK1A1 (0.45) CSNK1A1CLK4KHKNPSR1ALDH1A1
SCHEMBL30971228 0.78 CSNK1A1 (0.44) CSNK1A1CLK4KHKNPSR1ALDH1A1
SCHEMBL1457800 0.78 CSNK1A1 (0.44) CSNK1A1CLK4KHKNPSR1ALDH1A1
SCHEMBL30445578 0.78 CSNK1A1 (0.44) CSNK1A1CLK4CYP11B2TRPV4KHK
SCHEMBL1286023 0.78 CSNK1A1 (0.44) CSNK1A1CLK4CYP11B2TRPV4KHK
SCHEMBL3068625 0.75 CSNK1A1 (0.41) CSNK1A1CLK4CYP11B2TRPV4KHK
SCHEMBL3055782 0.75 CSNK1A1 (0.41) CSNK1A1CLK4CYP11B2TRPV4NPSR1
SCHEMBL1627979 0.75 CSNK1A1 (0.41) CSNK1A1CLK4CYP11B2TRPV4NPSR1
SCHEMBL21011621 0.75 CSNK1A1 (0.41) CSNK1A1CLK4KHKNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 — — US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 — — EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
CN-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 — — CN disclosed
CN-115703738-B 2-Aromatic heterocycle substituted urea compound, preparation method and application thereof 中国科学院上海药物研究所 2024-06-21 — — CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 — — CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
CN-110240598-B Process for preparing carboxamide derivatives and intermediate compounds thereof 上海翰森生物医药科技有限公司 2023-07-25 — — CN disclosed
CN-115703738-A Urea compound containing 2-aromatic heterocycle substitution, preparation method and application thereof 中国科学院上海药物研究所 2023-02-17 — — CN disclosed
US-20220340592-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2022-10-27 — — US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 — — US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 — — US disclosed
CN-100339376-C Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2007-09-26 — — CN disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 — — US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 — — US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 — — US disclosed
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 — — US disclosed
CN-1678607-A Nitrogen-containing aromatic ring derivatives EISAI CO LTD (JP) 2005-10-05 — — CN disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 — — US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 — — EP 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 (5 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-20220340592-A1 CHEMICAL COMPOUNDS CDK9, BCL9, BCL9L CSNK1A1 1697/4885CLK4 1255/4885CYP11B2 1746/4885
US-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB CSNK1A1 14/4885CLK4 1748/4885CYP11B2 2798/4885
US-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 CSNK1A1 1247/4885CLK4 3702/4885CYP11B2 31/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 CSNK1A1 1247/4885CLK4 3702/4885CYP11B2 31/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 CSNK1A1 1247/4885CLK4 3702/4885CYP11B2 31/4885

“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.