SCHEMBL6842431

SCHEMBL6842431

CCOC(=O)c1nn(Cc2cccc3ccccc23)cc1C(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CDC25B P30305 2/20 0.42
▸ CDC25A P30304 1/20 0.42
▸ CDC25C P30307 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ADORA3 P0DMS8 5/20 0.40

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
SCHEMBL6849128 0.92 CDC25B (0.44) LMNANFKB1RAB9ANFKB2RELA
SCHEMBL6848160 0.72 MAPK8 (0.46) LMNASMN1; SMN2KMT2AKDM4EL3MBTL1
SCHEMBL6842436 0.72 CDC25B (0.57) LMNANFKB1RAB9ANFKB2RELA
SCHEMBL28740610 0.72 ALDH1A1 (0.53) LMNANFKB1RAB9ANFKB2RELA
SCHEMBL3606815 0.72 MAPT (0.46) LMNARAB9ASMN1; SMN2CDC25BCDC25A
SCHEMBL15815752 0.70 CYP19A1 (0.48) LMNANFKB1RAB9ANFKB2RELA
SCHEMBL3180834 0.68 SLC22A12 (0.47) LMNARAB9ASMN1; SMN2CDC25BCDC25A
SCHEMBL4884114 0.67 NPSR1 (0.50) LMNARAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL20477287 0.67 ALDH1A1 (0.52) LMNARAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL4109693 0.67 PTPN1 (0.61) LMNANFKB1RAB9ASMN1; SMN2CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770646-B2 PYRROLO-, THIENO-, FURANO-AND PYRAZOLO-(3,4-D)-PYRIDAZINONES; USED FOR TREATING REVERSIBLE OBSTRUCTIVE AIRWAYS DISEASE AND EFFECTING IMMUNOSUPPRESSION ASTRAZENECA AB (SE) 2004-08-03 — — US disclosed
EP-1036076-B1 NOVEL COMPOUNDS ASTRAZENECA UK LTD (GB) 2002-09-04 — — EP disclosed
US-20020099055-A1 Novel compounds ASTRAZENECA AB. 2002-07-25 — — US disclosed
US-6342601-B1 TREATING ALLOGRAFT REJECTION, RHEUMATOID ARTHRITIS ASTRAZENECA AB (SE) 2002-01-29 — — US disclosed
EP-1036076-A1 NOVEL COMPOUNDS AstraZeneca UK Limited (GB) 2000-09-20 — — EP disclosed
WO-1999029695-A1 NOVEL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-06-17 — — WO 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 (1 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-20020099055-A1 Novel compounds THPO, CYP4B1, CYP3A4 LMNA 2760/4885NFKB1 2637/4885RAB9A 1116/4885

“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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