SCHEMBL3205401

SCHEMBL3205401

Cc1ccccc1-c1cc(F)cc2c1O[C@@H](CN)CN2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.40
PRKAB2 O43741 2/20 0.35
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAG3 Q9UGI9 2/20 0.35
PRKAG2 Q9UGJ0 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
HTR2C P28335 3/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
HTR1A P08908 2/20 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
SCHEMBL3216026 1.00 AQP1 (0.40) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3218208 1.00 AQP1 (0.40) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3205784 0.89 AQP1 (0.39) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3218311 0.89 AQP1 (0.39) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3213879 0.89 AQP1 (0.40) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3203101 0.89 AQP1 (0.40) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3207539 0.89 AQP1 (0.39) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3205834 0.89 AQP1 (0.40) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3199421 0.87 AQP1 (0.49) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3207281 0.87 AQP1 (0.49) AQP1PRKAB2PRKAG1PRKAA2PRKAA1

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 AQP1 2125/4885PRKAB2 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.