SCHEMBL23458439

SCHEMBL23458439

Cc1ccc(N)c(OC(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CCNA1 P78396 3/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR8 Q9NR97 1/20 0.35
MCHR1 Q99705 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CCR1 P32246 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL29983687 1.00 CCNA2 (0.37) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL21582555 0.82 LPAR1 (0.34) KMT2AKDM4ENOS3NOS2CCR1
SCHEMBL29813506 0.82 LPAR1 (0.34) KMT2AKDM4ENOS3NOS2CCR1
Hydrochloric Acid SCHEMBL30844835 0.81 LPAR1 (0.34) KDM4ENOS3NOS2CCR1RAB9A
SCHEMBL25009795 0.80 CCNA2 (0.37) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL29210880 0.79 GRM5 (0.32) KDM4ENOS3NOS2CCR1RAB9A
SCHEMBL21585395 0.79 KMT2A (0.41) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL25010693 0.79 MCHR1 (0.43) CDK2CDK1KDM4EUSP2HPGD
SCHEMBL25010689 0.79 MCHR1 (0.43) CDK2CDK1KDM4EUSP2HPGD
SCHEMBL30271340 0.79 MCHR1 (0.43) CDK2CDK1KDM4EUSP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12539294-B2 Combination of an azetidine LPA1 receptor antagonist with pirfenidone and/or nintedanib for use in the treatment of fibrotic diseases IDORSIA PHARMACEUTICALS LTD (CH) 2026-02-03 US disclosed
US-12344597-B2 Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis IDORSIA PHARMACEUTICALS LTD (CH) 2025-07-01 US disclosed
CN-112236424-B Alkoxy-substituted pyridinyl derivatives 爱杜西亚药品有限公司 2024-03-15 CN disclosed
US-20230000846-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2023-01-05 US disclosed
EP-4069227-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES Idorsia Pharmaceuticals Ltd (CH) 2022-10-12 EP disclosed
CN-114761001-A Combination of azetidine LPA1 receptor antagonists with anti-fibrotic agents 爱杜西亚药品有限公司 2022-07-15 CN disclosed
US-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-12 US disclosed
WO-2021110805-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-10 WO disclosed
CN-112236424-A Alkoxy-substituted pyridyl derivatives 爱杜西亚药品有限公司 2021-01-15 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 (4 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-12344597-B2 Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis LPAR1, LPAR3, LPAR2 CCNA2 1693/4885CDK2 1023/4885CCNA1 573/4885
US-12539294-B2 Combination of an azetidine LPA1 receptor antagonist with pirfenidone and/or nintedanib for use in the treatment of fibrotic diseases LPAR2, LPAR1, LPAR3 CCNA2 2883/4885CDK2 1581/4885CCNA1 1975/4885
US-20230000846-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES LPAR1, LPAR2, LPAR3 CCNA2 2181/4885CDK2 1263/4885CCNA1 810/4885
US-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS LPAR1, LPAR3, LPAR2 CCNA2 1693/4885CDK2 1023/4885CCNA1 573/4885

“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.