SCHEMBL2592947

SCHEMBL2592947

CCc1ocnc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PRKCB P05771 1/20 0.32
PARP10 Q53GL7 1/20 0.32
GLA P06280 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PARP1 P09874 1/20 0.30
PTGIR P43119 1/20 0.30
GSK3B P49841 1/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
TSHR P16473 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
SCHEMBL1760311 0.82 ADORA2A (0.36) ADORA2AGAAALDH1A1LMNAPRKCB
SCHEMBL2570230 0.77 TARBP2 (0.45) ALDH1A1KDM4ENPC1TSHR
SCHEMBL13862962 0.74
SCHEMBL11879772 0.71 ADORA2A (0.52) ADORA2AGAAALDH1A1LMNAGLA
SCHEMBL8146130 0.69
SCHEMBL2140831 0.69 ADORA2A (0.46) ADORA2AGAAALDH1A1LMNAPARP10
SCHEMBL8998740 0.69 GLA (0.37) ADORA2AGAAALDH1A1LMNAPARP10
SCHEMBL19203781 0.69 ADORA2A (0.46) ADORA2AGAAALDH1A1LMNAGLA
SCHEMBL15652808 0.69 ADORA2A (0.46) ADORA2AGAAALDH1A1LMNAGLA
SCHEMBL4782648 0.66 HCAR2 (0.41) ALDH1A1LMNAKDM4ENPC1RAB9A

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
EP-2566855-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-03-13 EP claimed
WO-2011138293-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-10 WO claimed
WO-2025104230-A1 BENZOXAZOLES AS MODULATORS OF IL-17A SANOFI (FR) 2025-05-22 WO disclosed
CN-119790050-A Oxazole TRPML1 agonists and uses thereof 利布拉医疗公司 2025-04-08 CN disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 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 (3 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ADORA2A 2515/4885GAA 1352/4885ALDH1A1 4596/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ADORA2A 3885/4885GAA 1817/4885ALDH1A1 4677/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 ADORA2A 2822/4885GAA 3246/4885ALDH1A1 3173/4885

“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.