SCHEMBL2905155

SCHEMBL2905155

CC1(C)Oc2cc(S(=O)(=O)c3ccccc3)ccc2NC1=O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.65
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HTR6 P50406 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MGAT2 Q10469 1/20 0.38

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
SCHEMBL9144927 0.89 BRD4 (0.55) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL2898016 0.77 HTR6 (0.40) BRD4ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL1450379 0.73 BRD4 (0.51) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL2905380 0.73 DRD2 (0.48) ALDH1A1SMN1; SMN2POLB
SCHEMBL8799434 0.73 BRD4 (0.40) BRD4ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL2722518 0.72 BRD4 (0.60) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL13574297 0.71 BRD4 (0.50) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL18307135 0.71 BRD4 (0.50) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL755992 0.71 BRD4 (0.50) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2
SCHEMBL1396628 0.71 BRD4 (0.56) BRD4PDE3BPDE3AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797051-B1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-1797051-B1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
EP-1797051-A1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
US-20060106012-A1 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC 2006-05-18 US disclosed
WO-2006037481-A1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 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-20060106012-A1 Benzoxazine and quinoxaline derivatives and uses thereof XDH, PDHX, HAX1 BRD4 455/4885PDE3B 1462/4885PDE3A 1279/4885

“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.