SCHEMBL9923064

SCHEMBL9923064

CCOOCc1ccc(C(=O)OCC)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA7 P43166 5/20 0.42
CA9 Q16790 5/20 0.42
CA14 Q9ULX7 5/20 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
SCHEMBL10288757 0.89 LMNA (0.44) LMNAKDM4EALDH1A1HPGDRAB9A
SCHEMBL1160497 0.84 LMNA (0.55) LMNAKDM4EALDH1A1HPGDRAB9A
SCHEMBL3282173 0.83 LMNA (0.49) LMNAKDM4EALDH1A1HPGDRAB9A
SCHEMBL28607697 0.81 LMNA (0.48) LMNAKDM4EALDH1A1HPGDRAB9A
SCHEMBL5065716 0.80 LMNA (0.47) LMNAKDM4EALDH1A1HPGDRAB9A
SCHEMBL358481 0.78 KDM4E (0.53) LMNAKDM4EALDH1A1HPGDRAB9A
SCHEMBL1160309 0.78 HRH3 (0.53) LMNAKDM4EALDH1A1HPGDRAB9A
SCHEMBL10503868 0.76 HSD17B10 (0.46) LMNAKDM4EALDH1A1HPGDRAB9A
SCHEMBL10504114 0.76 CYP4F2 (0.47) LMNAKDM4EALDH1A1HPGDRAB9A
SCHEMBL402047 0.75 LMNA (0.51) LMNAKDM4EALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 LMNA 4792/4885KDM4E 449/4885ALDH1A1 1632/4885

“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.