SCHEMBL3206925

SCHEMBL3206925

COc1ccc(-c2cccc3c2OC(CN)CN3C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAA1 Q13131 2/20 0.44
PRKAG3 Q9UGI9 2/20 0.44
PRKAG2 Q9UGJ0 2/20 0.44
PRKAB1 Q9Y478 2/20 0.44
DRD2 P14416 1/20 0.39
HTR7 P34969 3/20 0.39
HTR1A P08908 3/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
UCHL1 P09936 1/20 0.34

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
SCHEMBL3213225 1.00 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3213861 1.00 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3213865 0.86 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3207373 0.86 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3205244 0.86 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3208396 0.85 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3208270 0.85 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3210715 0.85 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3196497 0.82 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3196225 0.82 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US claimed
WO-2008052075-A2 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO claimed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
WO-2008052075-A2 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R PRKAB2 2961/4885PRKAG1 2626/4885PRKAA2 1952/4885

“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.