SCHEMBL11268817

SCHEMBL11268817

CSc1nncc(C2CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 2/20 0.34
TDP1 Q9NUW8 3/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL30488533 1.00 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL24253821 0.93 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL11631291 0.74 ALDH1A1 (0.63) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL11270464 0.74 ALDH1A1 (0.40) ALDH1A1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL9293182 0.73 CHRM2 (0.40)
SCHEMBL30989714 0.71 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL25314029 0.71 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL8819358 0.69 KMT2A (0.40) ALDH1A1CYP1A2CYP2C19GAAMAPT
SCHEMBL11263837 0.69 BMI1 (0.31) CYP11B1CYP11B2
SCHEMBL844567 0.69

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-4157392-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS DIAMOND SHAMROCK CORPORATION (US) 1979-06-05 US claimed
US-20250152584-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-05-15 US disclosed
WO-2025036275-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2025-02-20 WO disclosed
EP-4461729-A1 ANTIGEN BINDING PROTEIN TARGETING MSLN AND USE THEREOF Transthera Sciences (Nanjing), Inc. (CN) 2024-11-13 EP disclosed
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 US disclosed
EP-4345097-A1 SUBSTITUTED TRIAZINE COMPOUND Astellas Pharma Inc. (JP) 2024-04-03 EP disclosed
CN-117222626-A Substituted triazine compounds 安斯泰来制药株式会社 2023-12-12 CN disclosed
CN-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 CN disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN disclosed
WO-2022230912-A1 SUBSTITUTED TRIAZINE COMPOUND アステラス製薬株式会社 2022-11-03 WO disclosed
US-4310551-A Pharmacologically active substituted 1,2,4-triazines DIAMOND SHAMROCK CORPORATION (US) 1982-01-12 US disclosed
US-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US disclosed
US-4157392-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS DIAMOND SHAMROCK CORPORATION (US) 1979-06-05 US 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-20250152584-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF NLRP3, NLRP1, PYCARD ALDH1A1 3156/4885L3MBTL1 2982/4885CYP1A2 2515/4885
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD ALDH1A1 1683/4885L3MBTL1 3591/4885CYP1A2 878/4885

“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.