SCHEMBL29623097

SCHEMBL29623097

Cc1n[nH]c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ AXL P30530 2/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ NUDT1 P36639 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36

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
SCHEMBL253764 1.00 NPC1 (0.43) NPC1HSP90AA1L3MBTL1AXLCYP1A2
SCHEMBL30491378 0.80 CYP1A2 (0.31) CYP1A2
SCHEMBL174642 0.77 PDPK1 (0.48) HSP90AA1AXLAURKAPARP1GPR84
SCHEMBL30631993 0.77 PDPK1 (0.48) HSP90AA1AXLAURKAPARP1GPR84
SCHEMBL1495296 0.77 PDPK1 (0.48) HSP90AA1AXLAURKAPARP1GPR84
SCHEMBL12038443 0.76 GPR84 (0.42) NPC1HSP90AA1L3MBTL1AXLCYP1A2
SCHEMBL30773519 0.76 GPR84 (0.42) NPC1HSP90AA1L3MBTL1AXLCYP1A2
SCHEMBL29989469 0.76 MAPK1 (0.48) LRRK2
SCHEMBL1343940 0.75 GPR84 (0.44) NPC1HSP90AA1L3MBTL1AXLAURKA
SCHEMBL174792 0.75 AXL (0.41) NPC1HSP90AA1L3MBTL1AXLCYP1A2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 — — US claimed
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2023-03-07 — — US claimed
CN-114651215-A Photoresist stripping liquid composition for manufacturing display LTC有限公司 2022-06-21 — — CN claimed
WO-2026106389-A1 NMT INHIBITOR AND USE THEREOF 주식회사 이노보테라퓨틱스 2026-05-21 — — WO disclosed
EP-4709481-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS Amgen Inc. (US) 2026-03-18 — — EP disclosed
US-20260069571-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES REDX PHARMA PLC (GB) 2026-03-12 — — US disclosed
US-12429777-B2 Photoresist stripper composition for manufacturing display LTC CO., LTD. (KR) 2025-09-30 — — US disclosed
US-20240409557-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS AMGEN INC. (US) 2024-12-12 — — US disclosed
WO-2024233550-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS AMGEN INC. (US) 2024-11-14 — — WO disclosed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 — — US disclosed
CN-116446184-A Preparation method of superfine fiber synthetic leather containing isatis root active ingredient 百草边大生物科技(青岛)有限公司 2023-07-18 — — CN disclosed
US-11608347-B2 Octahydropyrido[1,2-alpha]pyrazines as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-03-21 — — US disclosed
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 — — US disclosed
US-20220404710-A1 PHOTORESIST STRIPPER COMPOSITION FOR MANUFACTURING DISPLAY LTC CO., LTD. (KR) 2022-12-22 — — US disclosed
CN-114651215-A Photoresist stripping liquid composition for manufacturing display LTC有限公司 2022-06-21 — — CN 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 (7 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-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 NPC1 137/4885HSP90AA1 1893/4885L3MBTL1 4705/4885
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK1G1 NPC1 1189/4885HSP90AA1 1362/4885L3MBTL1 2390/4885
US-11608347-B2 Octahydropyrido[1,2-alpha]pyrazines as MAGL inhibitors PYM1, MAG, MAGI3 NPC1 910/4885HSP90AA1 2855/4885L3MBTL1 1214/4885
US-20240409557-A1 5,6-FUSED AND 6,6-FUSED BICYCLIC ALCOHOLS AND ETHERS AND COMPOSITIONS FOR USE AS 15-PROSTAGLANDIN DEHYDROGENASE MODULATORS HPGD, ADH1A, ADH5 NPC1 1393/4885HSP90AA1 887/4885L3MBTL1 4000/4885
US-11597723-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC3 NPC1 132/4885HSP90AA1 1945/4885L3MBTL1 4688/4885
US-20260069571-A1 DDR1 AND DDR2 INHIBITORS FOR THE TREATEMENT OF CANCER AND FIBROTIC DISEASES DDR1, DDR2, TGFBR2 NPC1 1718/4885HSP90AA1 1902/4885L3MBTL1 2090/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS NPC1 324/4885HSP90AA1 4049/4885L3MBTL1 4569/4885

“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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