SCHEMBL3203159

SCHEMBL3203159

NCC1CNc2cccc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)c2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
ATM Q13315 1/20 0.37
KIF11 P52732 1/20 0.35
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL3214086 1.00 KMT2A (0.37) KMT2AATMKIF11MEN1GAA
SCHEMBL3195097 1.00 KMT2A (0.37) KMT2AATMKIF11MEN1GAA
SCHEMBL3212211 0.91 KMT2A (0.37) KMT2AATMKIF11MEN1GAA
SCHEMBL3208851 0.91 KMT2A (0.37) KMT2AATMKIF11MEN1GAA
SCHEMBL3203171 0.91 KMT2A (0.37) KMT2AATMKIF11MEN1GAA
SCHEMBL3196508 0.89 HTR1A (0.36) KMT2AATMPRKAB2PRKAG1PRKAA2
SCHEMBL3205625 0.89 HTR1A (0.36) KMT2AATMPRKAB2PRKAG1PRKAA2
SCHEMBL3207665 0.89 HTR1A (0.36) KMT2AATMPRKAB2PRKAG1PRKAA2
SCHEMBL3214084 0.87 HTR2C (0.37) KMT2AATMPRKAB2PRKAG1PRKAA2
SCHEMBL3197196 0.87 HTR2C (0.37) KMT2AATMPRKAB2PRKAG1PRKAA2

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 3 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
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 KMT2A 2186/4885ATM 3300/4885KIF11 4712/4885

“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.