SCHEMBL285610

SCHEMBL285610

Cc1onc(C2CCCC2)c1CO

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
GABRA5 P31644 7/20 0.34
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
TAS2R8 Q9NYW2 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL285408 0.98 JAK2 (0.36) JAK2JAK1TYK2JAK3GABRA5
SCHEMBL3153930 0.93 MEN1 (0.31) JAK2JAK1TYK2JAK3GABRA5
SCHEMBL286091 0.86 PDE1C (0.36) GABRA5
SCHEMBL2001845 0.84 RET (0.33)
SCHEMBL19900171 0.81 NR1H4 (0.34) JAK2JAK1TYK2JAK3
SCHEMBL23082916 0.76
SCHEMBL3165276 0.74
SCHEMBL31526106 0.74 RET (0.36) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL24248013 0.73 NPC1 (0.37) ALDH1A1HTTLMNASMN1; SMN2NPC1
SCHEMBL28788473 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427457-B1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS HOFFMANN LA ROCHE (CH) 2013-07-17 EP disclosed
US-8357703-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-01-22 US disclosed
EP-2427457-A1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127978-A1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286117-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 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 (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-20100286117-A1 PYRIDINES GABRA5, GABRA1, GABRA4 JAK2 1305/4885JAK1 1825/4885TYK2 1382/4885

“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.