SCHEMBL3209927

SCHEMBL3209927

N#Cc1cc(F)ccc1-c1cccc2c1O[C@H](CN)CN2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
AQP1 P29972 1/20 0.32
KLKB1 P03952 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL3195075 1.00 HTR1A (0.35) HTR1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3218181 1.00 HTR1A (0.35) HTR1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3216292 0.88 AQP1 (0.39) PRMT5WDR77AQP1KLKB1GSK3A
SCHEMBL3207355 0.88 AQP1 (0.39) PRMT5WDR77AQP1KLKB1GSK3A
SCHEMBL3207048 0.88 AQP1 (0.39) PRMT5WDR77AQP1KLKB1GSK3A
SCHEMBL3213826 0.81 HTR1A (0.36) HTR1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3217903 0.81 HTR1A (0.36) HTR1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3196394 0.81 HTR1A (0.36) HTR1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2685113 0.80 CREBBP (0.32)
SCHEMBL8228752 0.79 PRKAB2 (0.35) HTR1APRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US claimed

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 HTR1A 4/4885PRKAB2 2961/4885PRKAG1 2626/4885

“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.