SCHEMBL4944611

SCHEMBL4944611

CCOC(=O)c1n[nH]c2c1CN(Cc1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
CYP19A1 P11511 4/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
ADORA1 P30542 1/20 0.45
MAPK1 P28482 1/20 0.45
PRMT1 Q99873 1/20 0.44
CASP3 P42574 1/20 0.44
TRPC5 Q9UL62 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL25967025 0.91 CCNA2 (0.44) KDM4ECYP19A1POLBALDH1A1LMNA
SCHEMBL4949034 0.90 MEN1 (0.53) KDM4ECYP19A1ALDH1A1HPGDLMNA
SCHEMBL25343974 0.86 RBP4 (0.44) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL25967024 0.78 ALDH1A1 (0.45) KDM4EPOLBALDH1A1LMNAMEN1
SCHEMBL2922865 0.74 OPRM1 (0.47)
SCHEMBL2918058 0.74 CCNA2 (0.58) KDM4E
SCHEMBL13383270 0.73 MAPK1 (0.49) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL4946012 0.73 ACHE (0.51) KMT2AADORA1
SCHEMBL18587623 0.73 RBP4 (0.39) KDM4EPOLBMEN1MAPTKMT2A
SCHEMBL28901842 0.72 SLC6A5 (0.45) POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
CN-115403595-A Nitrogen-containing heterocyclic compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-29 CN disclosed
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 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-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 KDM4E 2305/4885CYP19A1 30/4885POLB 2267/4885
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 KDM4E 3667/4885CYP19A1 3641/4885POLB 394/4885

“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.