SCHEMBL204967

SCHEMBL204967

COC(=O)c1cccc2nc(C3CCCN(C(=O)OCc4ccccc4)C3)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.46
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
BCL9 O00512 4/20 0.43
CTNNB1 P35222 4/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDE4B Q07343 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRIN2B Q13224 3/20 0.41
USP30 Q70CQ3 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL205524 0.92 HSD17B10 (0.42) LCKJAK2JAK1HSD17B10SMN1; SMN2
SCHEMBL206285 0.90 SMN1; SMN2 (0.49) HSD17B10SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL206737 0.89 LCK (0.46) LCKJAK2JAK1TYK2JAK3
SCHEMBL206054 0.85 AADAT (0.44) MEN1KMT2ANPSR1ALDH1A1TSHR
SCHEMBL205895 0.81 SMN1; SMN2 (0.44) LCKJAK2JAK1SMN1; SMN2NPC1
SCHEMBL206528 0.79 SMN1; SMN2 (0.53) JAK2JAK1SMN1; SMN2NPC1RAB9A
SCHEMBL3435205 0.75 SMN1; SMN2 (0.44) LCKJAK2JAK1TYK2JAK3
SCHEMBL205859 0.74 AADAT (0.44) SMN1; SMN2
SCHEMBL3088824 0.74 ALDH1A1 (0.53) JAK2JAK1TYK2JAK3BCL9
SCHEMBL206188 0.74 HCRTR1 (0.40) KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 LCK 4369/4885JAK2 543/4885JAK1 2200/4885

“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.